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: | 156 | |
|---|---|---|
| Name: | pentachlorobenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 608-93-5 | |
| InChi Code: | InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 3.41 |
experimental value |
| 2.967 |
Eq1: Full model (Training set) |
| 3.011 |
Eq2: Split model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7024247 | US EPA CompTox Dashboard |