Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z1RWM538YN
EPA CompTox DTXSID9024512

Structure

InChI Key VIUDTWATMPPKEL-UHFFFAOYSA-N
Smiles Nc1cccc(c1)C(F)(F)F
InChI
InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6F3N1
Molecular Weight 161.05
AlogP 2.29
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 98-16-8
NORMAN SUSDAT
FDA SRS Z1RWM538YN
PubChem 7375
ChemSpider 7097.0