Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10188626

Structure

InChI Key XCGOAKAAORSAPJ-UHFFFAOYSA-N
Smiles FC1=CC=C(C(=C1)C)N(C)C
InChI
InChI=1/C9H12FN/c1-7-6-8(10)4-5-9(7)11(2)3/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12FN
Molecular Weight 153.1
AlogP 2.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 35122-83-9
NORMAN SUSDAT
PubChem 3015738