Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.
Compound
| ID: | 431 | |
|---|---|---|
| Name: | Uracil Mustard | |
| Description: | ||
| Labels: | training, Aromatic_Heterocycles | |
| CAS: | 66-75-1 | |
| InChi Code: | InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 1.46 |
experimental value |
| 0.85 |
Eq1: Linear correlation with logP (Training set) |
| 1.25 |
Eq2: Non-linear regression model (Training set) |
| 1.25 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8026270 | US EPA CompTox Dashboard |