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: | 1005 | |
|---|---|---|
| Name: | 1-(3,4-dichlorophenoxy)-N-methylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl-N-(3,4-dichlorophenyl)carbamate | |
| Labels: | ||
| CAS: | 18315-50-9 | |
| InChi Code: | InChI=1S/C8H7Cl2NO2/c1-11-8(12)13-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.74 |
experimental value |
| 2.3012 |
Tab2.Model_2: logKoc (Training set) |