Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40192498

Structure

InChI Key DNZRWVNXKTZXDM-UHFFFAOYSA-N
Smiles O=C(N(Cl)C1=CC=CC(=C1)C(F)(F)F)C(C)C
InChI
InChI=1/C11H11ClF3NO/c1-7(2)10(17)16(12)9-5-3-4-8(6-9)11(13,14)15/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11ClF3NO
Molecular Weight 265.05
AlogP 3.85
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.31
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 39240-97-6
NORMAN SUSDAT
PubChem 3016064