Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key CCHDNAOWTULYEX-UHFFFAOYSA-N
Smiles O[N+]12CC[N+](F)(CC1)CC2
InChI
InChI=1S/C6H13FN2O/c7-8-1-4-9(10,5-2-8)6-3-8/h10H,1-6H2/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13F1N2O1
Molecular Weight 148.1
AlogP -0.08
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
NORMAN SUSDAT