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: | 868 | |
|---|---|---|
| Name: | cyclohexylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexylbenzene | |
| Labels: | ||
| CAS: | 827-52-1 | |
| InChi Code: | InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 4.18 |
experimental value |
| 3.2222 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3061188 | US EPA CompTox Dashboard |