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: | 1046 | |
|---|---|---|
| Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N'-dimethylcarbamimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tebuthiuron | |
| Labels: | ||
| CAS: | 34014-18-1 | |
| InChi Code: | InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.83 |
experimental value |
| 1.9926 |
Tab2.Model_2: logKoc (Training set) |