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: | 1023 | |
|---|---|---|
| Name: | 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzene-1-carboximidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pronamide | |
| Labels: | ||
| CAS: | 23950-58-5 | |
| InChi Code: | InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.31 |
experimental value |
| 2.6631 |
Tab2.Model_2: logKoc (Training set) |