Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 79PJG9RJG3

Structure

InChI Key AMVYAIXPAGBXOM-AATRIKPKSA-N
Smiles O=C(O)C=CC=1C=CC=CC1C(F)(F)F
InChI
InChI=1/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7F3O2
Molecular Weight 216.04
AlogP 2.8
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 2062-25-1
NORMAN SUSDAT
FDA SRS 79PJG9RJG3
PubChem 719625