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: | 713 | |
|---|---|---|
| Name: | 4-methylbenzoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Methylbenzoic acid | |
| Labels: | ||
| CAS: | 99-94-5 | |
| InChi Code: | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.77 |
experimental value |
| 1.7158 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021618 | US EPA CompTox Dashboard |