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: | 595 | |
|---|---|---|
| Name: | 2-methoxy-2-methylpropane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Tert-butyl methyl ether | |
| Labels: | ||
| CAS: | 1634-04-4 | |
| InChi Code: | InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 2.12 |
experimental value |
| 2.2509 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -0.47674 |
experimental value |
| -1.0831 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.879174539 |
experimental value |
| -0.9894 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020833 | US EPA CompTox Dashboard |