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: | t146 | |
|---|---|---|
| Name: | 1-naphthaleneacetic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 86-87-3 | |
| InChi Code: | InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.47 |
experimental value |
| 1.3892 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 1.3892 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020915 | US EPA CompTox Dashboard |