Singh, A. QSAR for the organophosphate-induced inhibition and ‘aging’ of the enzyme neuropathy target esterase (NTE). SAR QSAR Environ. Res. 2001, 12, 275-295.
Compound
| ID: | DOVP | |
|---|---|---|
| Name: | dioctyl dichlorovinyl phosphate | |
| Description: | ||
| Labels: | ||
| CAS: | 20202-82-8 | |
| InChi Code: | InChI=1S/C18H35Cl2O4P/c1-3-5-7-9-11-13-15-22-25(21,24-17-18(19)20)23-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3 |
Properties
ratioI50NTE_I50AChE: Ratio of (log10I50NTE/log10I50AChE)
| Value | Source or prediction |
|---|---|
| -0.5 |
experimental value |
| -0.7534 |
Eq.6: Inhibition of NTE and AChE by organophosphates (Training set) |