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: | 424 | |
|---|---|---|
| Name: | 2-methylpropan-2-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: t-Butanol | |
| Labels: | ||
| CAS: | 75-65-0 | |
| InChi Code: | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 1.06 |
experimental value |
| 1.9363 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.03667 |
experimental value |
| -2.0745 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.129174539 |
experimental value |
| -2.1438 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020204 | US EPA CompTox Dashboard |