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: | 1860 | |
|---|---|---|
| Name: | 2,6-bis(propan-2-yl)aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,6-Diisopropylaniline | |
| Labels: | ||
| CAS: | 24544-04-5 | |
| InChi Code: | InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.06 |
experimental value |
| 4.4518 |
Tab2.Model_1: P. promelas LC50 (Training set) |