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: | 905 | |
|---|---|---|
| Name: | tetrachlorobenzene-1,3-dicarbonitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3-Benzenedicarbonitrile. 2.4.5.6-tetrachloro- | |
| Labels: | ||
| CAS: | 1897-45-6 | |
| InChi Code: | InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.2 |
experimental value |
| 2.7403 |
Tab2.Model_2: logKoc (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.270825461 |
experimental value |
| 0.089 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020319 | US EPA CompTox Dashboard |