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: | 1025 | |
|---|---|---|
| Name: | 3-(propan-2-yl)-3,4-dihydro-1H-2λ⁶,1,3-benzothiadiazine-2,2,4-trione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bentazon | |
| Labels: | ||
| CAS: | 25057-89-0 | |
| InChi Code: | InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.52 |
experimental value |
| 1.6099 |
Tab2.Model_2: logKoc (Training set) |