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

Structure

InChI Key HFSXFDKOXKNGIA-UHFFFAOYSA-N
Smiles [H+].[Cl-].NNc1cccc(F)c1
InChI
InChI=1S/C6H7FN2/c7-5-2-1-3-6(4-5)9-8/h1-4,9H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7F1N2
Molecular Weight 126.06
AlogP 1.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 38.05
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2924-16-5
NORMAN SUSDAT