Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.
Compound
| ID: | 622 | |
|---|---|---|
| Name: | Cyfluthrin | |
| Description: | ||
| Labels: | Validation | |
| CAS: | 68359-37-5 | |
| InChi Code: | InChI=1/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3 |
Properties
logKoc: logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 5 |
experimental value |
| 4.1 |
Eq1: Best externally predictive model (Validation set) |
| 4.13 |
Eq2: Full model, including all data (Training set) |
| 4.49 |
Tab2-9: Correlation with logKow (Validation set) |
| 5.17 |
Tab2-10: Correlation with logSw (Validation set) |
| 4.36 |
Tab2-11: logKow and aromaticity (Validation set) |
| 5.03 |
Tab2-12: logSw and aromaticity (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5035957 | US EPA CompTox Dashboard |