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: | e304 | |
|---|---|---|
| Name: | dibenz(a,h)acridine | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 226-36-8 | |
| InChi Code: | InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.03 |
experimental value |
| 3.6291 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 3.6291 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |