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: | 1247 | |
|---|---|---|
| Name: | 3-nitrobenzene-1,2-dicarboxylic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2-Benzenedicarboxylic acid. 3-nitro- The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 603-11-2 | |
| InChi Code: | InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13) |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.569174539 |
experimental value |
| -1.31 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9060528 | US EPA CompTox Dashboard |