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: | 938 | |
|---|---|---|
| Name: | 1-(3,4-dimethylphenoxy)-N-methylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Xylicarb | |
| Labels: | ||
| CAS: | 2425-10-7 | |
| InChi Code: | InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.71 |
experimental value |
| 2.2361 |
Tab2.Model_2: logKoc (Training set) |