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: | 962 | |
|---|---|---|
| Name: | 1-(3-chlorophenoxy)-N-methylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Methyl-N-(3-chlorophenyl)carbamate | |
| Labels: | ||
| CAS: | 4090-00-0 | |
| InChi Code: | InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.15 |
experimental value |
| 2.0445 |
Tab2.Model_2: logKoc (Training set) |