Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID90896939

Structure

InChI Key OUJDIWHRYQBZSR-VQHVLOKHSA-N
Smiles CCN(CC)C(C)=NP(C)(F)=O
InChI
InChI=1/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16FN2OP
Molecular Weight 194.1
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 32.67
Heavy Atoms 12.0

Cross References

Resources Reference
NORMAN SUSDAT