REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/171 - QDB Compounds

QsarDB Repository

Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR QSAR Environ. Res. 2007, 18, 169–178.

48 compounds | Property logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]

ID Name logTA100exp Details
1 1,3,6-Trinitropyrene 3.87 View
2 2,4,7-Trinitro-9-fluorenone 2.27 View
3 1,3-Dinitropyrene 4.63 View
4 1,6-Dinitropyrene 4.09 View
5 1,8-Dinitropyrene 4.74 View
6 2,7-Dinitro-9-fluorenone 2.69 View
7 1-Nitrofluoranthene 3 View
8 2-Nitroanthracene 3.05 View
9 2,7-Dinitrofluorene 1.27 View
10 3-Nitrofluoranthene 3.31 View
11 8-Nitrofluoranthene 2.6 View
12 1-Nitropyrene 2.17 View
13 7-Nitrofluoranthene 2.09 View
14 2-Nitronaphthalene 0.37 View
15 2-Nitrofluorene 1.08 View
16 2-Nitrophenanthrene 1.79 View
17 1-Nitronaphthalene i 0.28 View
18 5-Nitroacenaphthene i 0.97 View
19 1,3-Dinitrobenzene -0.51 View
20 1,3,5-Trinitrobenzene 0.72 View
21 4-Nitrotoluene -2.1 View
22 2,3-Dinitrotoluene -1.26 View
23 2,4-Dinitrotoluene -1.29 View
24 2,5-Dinitrotoluene -0.63 View
25 2,6-Dinitrotoluene -1.34 View
26 3,4-Dinitrotoluene -1.3 View
27 3,5-Dinitrotoluene -0.72 View
28 2,3,4-Trinitrotoluene 0.08 View
29 2,3,5-Trinitrotoluene 0.46 View
30 2,3,6-Trinitrotoluene 0.55 View
31 2,4,5-Trinitrotoluene 1.12 View
32 2,4,6-Trinitrotoluene 0.16 View
33 3,4,5-Trinitrotoluene 1.01 View
34 1-Methyl-2-nitronaphthalene i 0.08 View
35 3-Methyl-2-nitronaphthalene i -0.7 View
36 1,3-Dinitronaphthalene 0.86 View
37 1,5-Dinitronaphthalene 0.91 View
38 1,8-Dinitronaphthalene 1.12 View
39 2,4,5,7-Tetra-nitro-9-fluorenone 2.46 View
40 2-Nitropyrene 2.87 View
41 1,3,6,8-Tetranitropyrene 3.18 View
42 5-Nitroquinoline i -0.7 View
43 6-Nitroquinoline i -1.05 View
44 2-Nitrocarbazole -0.3 View
45 3-Nitrocarbazole -1 View
46 4-Nitrocarbazole -0.3 View
47 9-Nitroanthracene 0.26 View
48 6-Nitrochrysene 2.21 View

Bibliography

  1. Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR and QSAR in Environmental Research 2007, 18, 169–178. http://dx.doi.org/10.1080/10629360601054388