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: | 949 | |
|---|---|---|
| Name: | N-(3-bromophenyl)carbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Bromophenylurea | |
| Labels: | ||
| CAS: | 2989-98-2 | |
| InChi Code: | InChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.09 |
experimental value |
| 1.8782 |
Tab2.Model_2: logKoc (Training set) |