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: | 1858 | |
|---|---|---|
| Name: | trimethyl-1,3-oxazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4,5-Trimethyloxazole | |
| Labels: | ||
| CAS: | 20662-84-4 | |
| InChi Code: | InChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.39 |
experimental value |
| 3.3115 |
Tab2.Model_1: P. promelas LC50 (Training set) |