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: | 1258 | |
|---|---|---|
| Name: | benzene-1,3-dicarbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3-benzenedicarbonitrile | |
| Labels: | ||
| CAS: | 626-17-5 | |
| InChi Code: | InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.619174539 |
experimental value |
| -0.8046 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7027259 | US EPA CompTox Dashboard |