Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3XLG4R478F
EPA CompTox DTXSID30185975

Structure

InChI Key RXTJLDXSGNEJIT-UHFFFAOYSA-N
Smiles Nc1cccc2c1CCC2
InChI
InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1
Molecular Weight 133.09
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 32202-61-2
NORMAN SUSDAT
FDA SRS 3XLG4R478F
PubChem 122569
ChemSpider 109280.0