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_11 | |
|---|---|---|
| Name: | TDE | |
| Description: | ||
| Labels: | ||
| CAS: | 72-54-8 | |
| InChi Code: | InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.8328 |
experimental value |
| -1.32156 |
Eq.3: Model for pesticides (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020373 | US EPA CompTox Dashboard |