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: | 1213 | |
|---|---|---|
| Name: | (2R)-1,1,1,2-tetrachloro-3-[(2R)-2,3,3,3-tetrachloropropoxy]propane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3.3.2'.3'.3'.3'-octachlorodipropylether | |
| Labels: | ||
| CAS: | 127-90-2 | |
| InChi Code: | InChI=1S/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2/t3-,4-/m1/s1 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.035825461 |
experimental value |
| 1.2095 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |