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: | 174 | |
|---|---|---|
| Name: | 2,3,3',4',5'-pentachlorobiphenyl | |
| Description: | (PCB 122) CAS and molfile corrected according to original data in publ. 2010. (was: 25429-29-2) | |
| Labels: | Training | |
| CAS: | 76842-07-4 | |
| InChi Code: | InChI=1S/C12H5Cl5/c13-8-3-1-2-7(11(8)16)6-4-9(14)12(17)10(15)5-6/h1-5H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 5.02 |
experimental value |
| 4.479 |
Eq1: Full model (Training set) |
| 4.509 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2074243 | US EPA CompTox Dashboard |