Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 955 | |
|---|---|---|
| Name: | 3-[(2R)-2-methylpiperidin-1-yl]propyl 3,4-dichlorobenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pipron | |
| Labels: | ||
| CAS: | 3478-94-2 | |
| InChi Code: | InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3/t12-/m1/s1 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.7 |
experimental value |
| 3.2757 |
Tab2.Model_2: logKoc (Training set) |