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: | 778 | |
|---|---|---|
| Name: | 2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Thiabendazole | |
| Labels: | ||
| CAS: | 148-79-8 | |
| InChi Code: | InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.24 |
experimental value |
| 3.2029 |
Tab2.Model_2: logKoc (Training set) |