Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 93F28C8C0X
EPA CompTox DTXSID0059906

Structure

InChI Key KQOIBXZRCYFZSO-UHFFFAOYSA-N
Smiles FC=1C=C(F)C=C(N)C1
InChI
InChI=1/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5F2N
Molecular Weight 129.04
AlogP 1.55
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 372-39-4
NORMAN SUSDAT
FDA SRS 93F28C8C0X
PubChem 96595