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: | 1324 | |
|---|---|---|
| Name: | 2,2-bis(bromomethyl)propane-1,3-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.3-Propanediol. 2.2-bis(bromomethyl)- | |
| Labels: | ||
| CAS: | 3296-90-0 | |
| InChi Code: | InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.399174539 |
experimental value |
| -1.1851 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9020164 | US EPA CompTox Dashboard |