Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U0L74S8K6G
EPA CompTox DTXSID70176701

Structure

InChI Key SODWJACROGQSMM-UHFFFAOYSA-N
Smiles Nc1c2CCCCc2ccc1
InChI
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N1
Molecular Weight 147.1
AlogP 2.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2217-41-6
NORMAN SUSDAT
FDA SRS U0L74S8K6G
PubChem 16671
ChemSpider 15808.0