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: | t128 | |
|---|---|---|
| Name: | 2,6-naphthalenedicarboxylic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 1141-38-4 | |
| InChi Code: | InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 0.72 |
experimental value |
| 0.9752 |
Tab2: Multilinear model for diverse chemicals (Training set) |
| 0.9752 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5029211 | US EPA CompTox Dashboard |