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: | 1157 | |
|---|---|---|
| Name: | 1,3-benzothiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzothiazole | |
| Labels: | ||
| CAS: | 95-16-9 | |
| InChi Code: | InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.859174539 |
experimental value |
| -0.5916 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024586 | US EPA CompTox Dashboard |