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: | 1150 | |
|---|---|---|
| Name: | benzene-1,2-dicarbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2-benzenedicarbonitrile | |
| Labels: | ||
| CAS: | 91-15-6 | |
| InChi Code: | InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.674174539 |
experimental value |
| -0.8111 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8029604 | US EPA CompTox Dashboard |