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: | 1589 | |
|---|---|---|
| Name: | 4,6-dihydroxy-5-methyl-5-phenyl-2,5-dihydropyrimidin-2-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenobarbital | |
| Labels: | ||
| CAS: | 50-06-6 | |
| InChi Code: | InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.68 |
experimental value |
| 3.4841 |
Tab2.Model_1: P. promelas LC50 (Training set) |