Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7XBP8297PJ
EPA CompTox DTXSID1059525

Structure

InChI Key VKTTYIXIDXWHKW-UHFFFAOYSA-N
Smiles Nc1cc(ccc1Cl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl1F3N1
Molecular Weight 195.01
AlogP 2.94
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 121-50-6
NORMAN SUSDAT
FDA SRS 7XBP8297PJ
PubChem 8475
ChemSpider 8162.0