Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7HZT8WXU3E
EPA CompTox DTXSID40193940

Structure

InChI Key LOMBYWOEYMBBGZ-UHFFFAOYSA-N
Smiles Cc1cc2c(cc1)c(C)ccn2
InChI
InChI=1S/C11H11N/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11N1
Molecular Weight 157.09
AlogP 2.85
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 40941-54-6
NORMAN SUSDAT
FDA SRS 7HZT8WXU3E
PubChem 123499
ChemSpider 110094.0