Tulp, I.; Tamm, T.; Dobchev, D.; Martin, D.; Karelson, G.; Jänes, J.; Tämm, K.; Härk, E.; Savchenko, D.; Kreegipuu, A.; Karelson, M. QSAR for the soil adsorption coefficient Koc. Q13-26-0009. 2009.

162 compounds | Property logKoc: Logarithm of soil sorption coefficient

ID	Name	logKoc	Details
1	Alachlor	2.28	View
2	Butachlor	2.86	View
3	Propachlor	2.42	View
4	Aldicarb sulfone	0.42	View
5	Butylate	2.11	View
6	Carbaryl	2.4	View
7	Carbofuran	1.75	View
8	Chlorpropham	2.53	View
9	Cycloate	2.54	View
10	Diallate	3.28	View
11	Methiocarb	2.32	View
12	Molinate	1.92	View
13	Methyl-N-phenylcarbamate	1.73	View
14	Ethyl-N-phenylcarbamate	1.82	View
15	Methyl-N-(3,4-dichlorophenyl)carbamate	2.74	View
16	Thiobencarb	3.27	View
17	Vernolate	2.33	View
18	Butralin	3.98	View
19	Dinitramine	3.63	View
20	Fluchloralin	3.55	View
21	Oryzalin	3.4	View
22	Profluralin	4.01	View
23	Trifluralin	3.93	View
24	Aldrin	4.69	View
25	Chlordane	5.15	View
26	Endosulfan	4.13	View
27	Lindane	3	View
28	Methoxychlor	4.9	View
29	Carbophenothion	4.66	View
30	Chlorfenvinphos (cis)	2.47	View
31	Chlorpyrifos	3.7	View
32	Chlorpyrifos methyl	3.52	View
33	Crotoxyphos	2	View
34	Dicrotophos	1.66	View
35	Dimethoate	1.2	View
36	Disulfoton	3.22	View
37	Ethion	4.06	View
38	Fenamiphos	2.51	View
39	Fenitrothion	2.63	View
40	Fonofos	3.44	View
41	Isazophos	2.01	View
42	Mevinphos (cis)	2.3	View
43	Mevinphos (trans)	2.3	View
44	Parathion	3.2	View
45	Parathion methyl	3	View
46	Phorate	2.7	View
47	Phosalone	2.63	View
48	Profenofos	3.03	View
49	Terbufos	2.82	View
50	Trichlorfon	1.9	View
51	Phenylurea	1.5	View
52	2-Chlorophenylurea	1.61	View
53	2-Fluorophenylurea	1.32	View
54	3-Fluorophenylurea	1.77	View
55	3-Bromophenylurea	2.12	View
56	3-Methylphenylurea	1.56	View
57	3-Trifluoromethylphenylurea	1.98	View
58	4-Bromophenylurea	2.06	View
59	3,4-Dichlorophenylurea	2.53	View
60	3-Chloro-4-methoxyphenylurea	2	View
61	3-Methyl-4-bromophenylurea	2.37	View
62	N-Phenyl-N'-cyclopropylurea	1.74	View
63	N-Phenyl-N'-cyclopentylurea	1.93	View
64	N-Phenyl-N'-cyclohexylurea	2.07	View
65	N-Phenyl-N'-cycloheptylurea	2.37	View
66	Siduron	2.31	View
67	N-Phenyl-N-methylurea	1.29	View
68	N-(3,4-Dichlorophenyl)-N'-methylurea	2.46	View
69	N-(3-Chloro-4-methylphenyl)-N'-methylurea	2.1	View
70	N-(3-Chloro-4-methoxyphenyl)-N'methylurea	1.84	View
71	Fenuron	1.4	View
72	N-(3-Chlorophenyl)-N',N'-dimethylurea	1.79	View
73	N-(4-Fluorophenyl)-N',N'-dimethylurea	1.43	View
74	Monuron	1.95	View
75	N-(4-Methylphenyl)-N',N'-dimethylurea	1.51	View
76	Metoxuron	1.72	View
77	Chlorotoluron	2.02	View
78	N-(3,5-Dimethylphenyl)-N',N'-dimethylurea	1.73	View
79	Diuron	2.4	View
80	Chlorbromuron	2.7	View
81	Ametryn	2.59	View
82	Atrazine	2.24	View
83	Cyanazine	2.28	View
84	Dipropetryn	3.07	View
85	Metribuzin	1.71	View
86	Prometon	2.6	View
87	Propazine	2.4	View
88	Simazine	2.1	View
89	Secbumeton	2.78	View
90	Terbutryn	2.85	View
91	Trietazine	2.76	View
92	Ipazine	2.91	View
93	Propiconazole	3.39	View
94	Tebuthiuron	1.83	View
95	Triadimefon	2.71	View
96	Tricyclazole	3.09	View
97	Aldicarb sulfoxide	0.56	View
98	Asulam	2.48	View
99	Chlorbufam	2.21	View
100	Fenobucarb	1.71	View
101	Thiodicarb	2.54	View
102	Demeton-S-methyl	1.49	View
103	Dichlorvos	1.67	View
104	Leptophos	4.5	View
105	Methidathion	1.53	View
106	Piperophos	3.44	View
107	Pirimiphos methyl	3	View
108	Terbuthylazine	2.32	View
109	Acetochlor	2.32	View
110	Metalaxyl	1.57	View
111	Metolachlor	2.46	View
112	Aldicarb	1.5	View
113	Benomyl	2.71	View
114	Carbendazim	2.35	View
115	EPTC	2.38	View
116	Methomyl	1.3	View
117	Oxamyl	1	View
118	Pebulate	2.8	View
119	Propyl-N-phenylcarbamate	2.06	View
120	Butyl-N-phenylcarbamate	2.26	View
121	Pentyl-N-phenylcarbamate i	2.61	View
122	Methyl-N-(3-chlorophenyl)carbamate i	2.15	View
123	Propham	1.83	View
124	Propoxur	1.67	View
125	Triallate	3.35	View
126	Benfluralin	3.99	View
127	Nitralin	2.92	View
128	p,p'-DDT	5.31	View
129	p,p'-DDE	4.82	View
130	Dieldrin	4.55	View
131	Azinphos methyl	2.28	View
132	Chlorfenvinphos (trans)	2.47	View
133	Diazinon	2.75	View
134	Ethoprophos	1.8	View
135	Fensulfothion	2.52	View
136	Malathion	3.07	View
137	3-Chlorophenylurea	2.01	View
138	4-Fluorophenylurea	1.52	View
139	4-Phenoxyphenylurea	2.56	View
140	3-Methyl-4-Fluorophenylurea	1.75	View
141	N-(3-Chlorophenyl)-N'-methylurea	1.93	View
142	N-(3-Methoxyphenyl)-N',N'-dimethylurea i	1.72	View
143	N-(3-Fluorophenyl)-N',N'-dimethylurea	1.73	View
144	Fluometuron	2	View
145	N-(4-Methoxyphenyl)-N',N'-dimethylurea	1.4	View
146	N-(3,5-DiMethyl-4-Bromo-phenyl)-N',N'-dimethylurea	2.53	View
147	Chloroxuron	3.55	View
148	Monolinuron	2.1	View
149	Metobromuron	2.1	View
150	Linuron	2.7	View
151	Prometryn	2.85	View
152	Imazalil	3.73	View
153	Oxadiazon	3.51	View
154	Thiabendazole	3.24	View
155	Pirimicarb	1.9	View
156	Xylylcarb	1.71	View
157	EPN	3.12	View
158	Iprobenfos	2.4	View
159	Sulprofos	4.08	View
160	Neburon	3.4	View
161	Anilazine	3	View
162	Cyromazine	2.3	View

Bibliography

Gramatica, P.; Corradi, M.; Consonni, V. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 2000, 41, 763–777. https://doi.org/10.1016/s0045-6535(99)00463-4
Sabljić, A.; Güsten, H.; Verhaar, H.; Hermens, J. QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations. Chemosphere 1995, 31, 4489–4514. https://doi.org/10.1016/0045-6535(95)00327-5
Meylan, W.; Howard, P. H.; Boethling, R. S. Molecular topology/fragment contribution method for predicting soil sorption coefficients. Environmental Science & Technology 1992, 26, 1560–1567. https://doi.org/10.1021/es00032a011
Kanazawa, J. Relationship between the soil sorption constants for pesticides and their physicochemical properties. Environmental Toxicology and Chemistry 1989, 8, 477–484. https://doi.org/10.1002/etc.5620080604
Gawlik, B. M.; Feicht, E. A.; Karcher, W.; Kettrup, A.; Mauntau, H. Application of the European reference soil set (EUROSOILS) to a HPLC-screening method for the estimation of soil adsorption coefficients of organic compounds. Chemosphere 1998, 36, 2903–2919. https://doi.org/10.1016/s0045-6535(97)10247-8
Lohninger, H. Estimation of soil partition coefficients of pesticides from their chemical structure. Chemosphere 1994, 29, 1611–1626. https://doi.org/10.1016/0045-6535(94)90309-3

10967/228 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Dobchev, D.; Martin, D.; Karelson, G.; Jänes, J.; Tämm, K.; Härk, E.; Savchenko, D.; Kreegipuu, A.; Karelson, M. QSAR for the soil adsorption coefficient Koc. Q13-26-0009. 2009.

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