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: | 1692 | |
|---|---|---|
| Name: | N,N-diethyl-3-methylbenzamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: N,N-Diethyl-m-toluamide | |
| Labels: | ||
| CAS: | 134-62-3 | |
| InChi Code: | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.24 |
experimental value |
| 3.9734 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021995 | US EPA CompTox Dashboard |