Toropov, A. A.; Benfenati, E. QSAR models of quail dietary toxicity based on the graph of atomic orbitals. Bioorg. Med. Chem. Lett. 2006, 16, 1941–1943.
Compound
| ID: | Va_6 | |
|---|---|---|
| Name: | Diuron | |
| Description: | ||
| Labels: | ||
| CAS: | 330-54-1 | |
| InChi Code: | InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14) |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.8705 |
experimental value |
| -1.30592 |
Eq.3: Model for pesticides (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0020446 | US EPA CompTox Dashboard |