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: | 891 | |
|---|---|---|
| Name: | butyl N-phenylcarbamate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Butyl-N-phenylcarbamate | |
| Labels: | ||
| CAS: | 1538-74-5 | |
| InChi Code: | InChI=1S/C11H15NO2/c1-2-3-9-14-11(13)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.26 |
experimental value |
| 2.017 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60165422 | US EPA CompTox Dashboard |