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: | 695 | |
|---|---|---|
| Name: | phenyl benzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenyl Benzoate | |
| Labels: | ||
| CAS: | 93-99-2 | |
| InChi Code: | InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.16 |
experimental value |
| 2.7945 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0048210 | US EPA CompTox Dashboard |