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: | 1209 | |
|---|---|---|
| Name: | 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzothiazole. 2.2 -dithiobis- | |
| Labels: | ||
| CAS: | 120-78-5 | |
| InChi Code: | InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.909174539 |
experimental value |
| 0.0141 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |