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_24 | |
|---|---|---|
| Name: | Formetanate | |
| Description: | Name in the article was: FormethanateHydrochloride | |
| Labels: | ||
| CAS: | 22259-30-9 | |
| InChi Code: | InChI=1S/C11H15N3O2/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3/h4-8H,1-3H3,(H,12,15) |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.1869 |
experimental value |
| -1.09357 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9041990 | US EPA CompTox Dashboard |