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: | 1808 | |
|---|---|---|
| Name: | 1-(4-tert-butylphenoxy)-N-methylmethanimidic acid | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: p-(Tert-butyl)-phenyl-N-methyl-carbamate | |
| Labels: | ||
| CAS: | 2626-83-7 | |
| InChi Code: | InChI=1S/C12H17NO2/c1-12(2,3)9-5-7-10(8-6-9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.32 |
experimental value |
| 4.2557 |
Tab2.Model_1: P. promelas LC50 (Training set) |