Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID60896946

Structure

InChI Key SBPSVLLDDYOPDZ-CSKARUKUSA-N
Smiles CCOP(F)(=O)N=C(/C)N(CC)CC
InChI
InChI=1/C8H18FN2O2P/c1-5-11(6-2)8(4)10-14(9,12)13-7-3/h5-7H2,1-4H3/b10-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18FN2O2P
Molecular Weight 224.11
AlogP 2.86
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 41.9
Heavy Atoms 14.0

Cross References

Resources Reference
NORMAN SUSDAT