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: | 803 | |
|---|---|---|
| Name: | 5-bromo-2-hydroxy-6-methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Isocil | |
| Labels: | ||
| CAS: | 314-42-1 | |
| InChi Code: | InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13) |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 2.11 |
experimental value |
| 1.4927 |
Tab2.Model_2: logKoc (Training set) |