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: | 641 | |
|---|---|---|
| Name: | 4-nitrobenzoic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Nitrobenzoic acid The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 62-23-7 | |
| InChi Code: | InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.54 |
experimental value |
| 1.7457 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020966 | US EPA CompTox Dashboard |