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: | 1102 | |
|---|---|---|
| Name: | N-(4-bromo-3-methylphenyl)carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Methyl-4-bromophenylurea | |
| Labels: | ||
| CAS: | 78508-46-0 | |
| InChi Code: | InChI=1S/C8H9BrN2O/c1-5-4-6(11-8(10)12)2-3-7(5)9/h2-4H,1H3,(H3,10,11,12) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.37 |
experimental value |
| 2.1028 |
Tab2.Model_2: logKoc (Training set) |