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: | 453 | |
|---|---|---|
| Name: | 1-benzothiophene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzo[b]thiophene | |
| Labels: | ||
| CAS: | 95-15-8 | |
| InChi Code: | InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.49 |
experimental value |
| 3.0283 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 0.70051 |
experimental value |
| 0.7231 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2052736 | US EPA CompTox Dashboard |