Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LG21YE3V7L
EPA CompTox DTXSID8044915

Structure

InChI Key ZZLHZRRZJWMQOL-UHFFFAOYSA-N
Smiles CN1COc2ccccc2C1
InChI
InChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)11-7-10/h2-5H,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1O1
Molecular Weight 149.08
AlogP 1.47
Hydrogen Bond Acceptor 2.0
Polar Surface Area 12.47
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 32329-20-7
NORMAN SUSDAT
FDA SRS LG21YE3V7L