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: | e323 | |
|---|---|---|
| Name: | 2-(3-oxo-1h-indol-2-ylidene)-1h-indol-3-one | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 482-89-3 | |
| InChi Code: | InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13- |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.40 |
experimental value |
| 1.3064 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.3064 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |