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_35 | |
|---|---|---|
| Name: | Methylene bis(thiocyanate) | |
| Description: | ||
| Labels: | ||
| CAS: | 6317-18-6 | |
| InChi Code: | InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2 |
Properties
pLC50: Quail dietary toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.2337 |
experimental value |
| -1.16904 |
Eq.3: Model for pesticides (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8025599 | US EPA CompTox Dashboard |