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: | Tr_55 | |
|---|---|---|
| Name: | 3,4,5-Trimethacarb | |
| Description: | Name in the article was: Trimethacarb | |
| Labels: | ||
| CAS: | 2686-99-9 | |
| InChi Code: | InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13) |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.1371 |
experimental value |
| -0.86097 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1040322 | US EPA CompTox Dashboard |