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: | 1086 | |
|---|---|---|
| Name: | pentyl N-phenylcarbamate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentyl-N-phenylcarbamate | |
| Labels: | ||
| CAS: | 63075-06-9 | |
| InChi Code: | InChI=1S/C12H17NO2/c1-2-3-7-10-15-12(14)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.61 |
experimental value |
| 2.1842 |
Tab2.Model_2: logKoc (Training set) |