Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T3Y0F5VOB8
EPA CompTox DTXSID80161441

Structure

InChI Key RMNLUTBTQORGFJ-UHFFFAOYSA-N
Smiles COc1ccc(cc1)N2C(=O)NC=C2C
InChI
InChI=1S/C11H12N2O2/c1-8-7-12-11(14)13(8)9-3-5-10(15-2)6-4-9/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O2
Molecular Weight 204.09
AlogP 2.09
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 41.9
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 14058-90-3
NORMAN SUSDAT
FDA SRS T3Y0F5VOB8