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: | 450 | |
|---|---|---|
| Name: | [1,1'-biphenyl]-4,4'-diamine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzidine | |
| Labels: | ||
| CAS: | 92-87-5 | |
| InChi Code: | InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.46 |
experimental value |
| 3.1075 |
Tab2.Model_2: logKoc (Training set) |
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.76844 |
experimental value |
| -1.6324 |
Tab2.Model_3: Global half-life index (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020137 | US EPA CompTox Dashboard |