Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80233990

Structure

InChI Key YWZXYBOYTASOSM-UHFFFAOYSA-N
Smiles FC1=CC=C(C=C1)C(NCCO)C2=CC=C(F)C=C2
InChI
InChI=1/C15H15F2NO/c16-13-5-1-11(2-6-13)15(18-9-10-19)12-3-7-14(17)8-4-12/h1-8,15,18-19H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15F2NO
Molecular Weight 263.11
AlogP 2.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 32.26
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 84946-19-0
NORMAN SUSDAT
PubChem 3020240