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: | 1868 | |
|---|---|---|
| Name: | 4-tert-butylbenzamide | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: p-(Tert-butyl)benzamide | |
| Labels: | ||
| CAS: | 56108-12-4 | |
| InChi Code: | InChI=1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13) |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.75 |
experimental value |
| 3.758 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022295 | US EPA CompTox Dashboard |