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: | 1128 | |
|---|---|---|
| Name: | 2-methylbuta-1,3-diene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3-Butadiene. 2-methyl- | |
| Labels: | ||
| CAS: | 78-79-5 | |
| InChi Code: | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.609174539 |
experimental value |
| -0.7612 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020761 | US EPA CompTox Dashboard |