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: | 1639 | |
|---|---|---|
| Name: | 2-methyl-4-phenylbutan-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzyl-tert-butanol | |
| Labels: | ||
| CAS: | 103-05-9 | |
| InChi Code: | InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.39 |
experimental value |
| 4.4769 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3021851 | US EPA CompTox Dashboard |