Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XC9SZX9PTX
EPA CompTox DTXSID30197679

Structure

InChI Key YVBSECQAHGIWNF-UHFFFAOYSA-N
Smiles CN1CCCc2c1cccc2
InChI
InChI=1S/C10H13N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N1
Molecular Weight 147.1
AlogP 2.07
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 491-34-9
NORMAN SUSDAT
FDA SRS XC9SZX9PTX
PubChem 68109
ChemSpider 61417.0