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: | 405 | |
|---|---|---|
| Name: | benzoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzoic Acid | |
| Labels: | ||
| CAS: | 65-85-0 | |
| InChi Code: | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.5 |
experimental value |
| 1.4969 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.59781 |
experimental value |
| -1.4788 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6020143 | US EPA CompTox Dashboard |