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: | t411 | |
|---|---|---|
| Name: | 3-hydroxy-n-phenylnaphthalene-2-carboxamide | |
| Description: | ||
| Labels: | Training | |
| CAS: | 92-77-3 | |
| InChi Code: | InChI=1S/C17H13NO2/c19-16-11-13-7-5-4-6-12(13)10-15(16)17(20)18-14-8-2-1-3-9-14/h1-11,19H,(H,18,20) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.81 |
experimental value |
| 1.6473 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.6473 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1052618 | US EPA CompTox Dashboard |