Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | t291 | |
|---|---|---|
| Name: | 4-methylphenylene-1,3-diamine | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-80-7 | |
| InChi Code: | InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.7 |
experimental value |
| 0.5035 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.5035 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |