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: | 972 | |
|---|---|---|
| Name: | 3-tert-butyl-5-chloro-2-hydroxy-6-methyl-3,4-dihydropyrimidin-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Terbacil | |
| Labels: | ||
| CAS: | 5902-51-2 | |
| InChi Code: | InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.69 |
experimental value |
| 1.4819 |
Tab2.Model_2: logKoc (Training set) |