Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.
Compound
| ID: | 175 | |
|---|---|---|
| Name: | 2,2'-dichlorobiphenyl | |
| Description: | Name, CAS and molfile corrected according to original data in publ. 2010. (was: 2,2'-dichloro-4-methylbiphenyl, 25512-42-9) | |
| Labels: | Training | |
| CAS: | 13029-08-8 | |
| InChi Code: | InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 2.78 |
experimental value |
| 2.562 |
Eq1: Full model (Training set) |
| 2.564 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4044533 | US EPA CompTox Dashboard |