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: | 393 | |
|---|---|---|
| Name: | (1S,2R,3R,4R,6R,7R)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0²,⁶]dec-8-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.4.5.6.7.8.8-Octachloro-2.3.3a.4.7.7a-hexahydro-4.7-methano-1H-indene | |
| Labels: | ||
| CAS: | 57-74-9 | |
| InChi Code: | InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5+,8-,9+/m1/s1 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| 2.85689 |
experimental value |
| 3.7421 |
Tab2.Model_3: Global half-life index (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 2.365825461 |
experimental value |
| 2.1711 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |