Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q2S2C56KQJ
EPA CompTox DTXSID20211696

Structure

InChI Key QNDFYLBDUWCFJO-UHFFFAOYSA-N
Smiles FC1=CC=C(N)C=C1N
InChI
InChI=1/C6H7FN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H7FN2
Molecular Weight 126.06
AlogP 0.99
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 52.04
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6264-67-1
NORMAN SUSDAT
FDA SRS Q2S2C56KQJ
PubChem 80435