Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HIOROZIUERMMRQ-UHFFFAOYSA-N
Smiles CN1CCCC1c2ccc[n+](C)c2
InChI
InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N2
Molecular Weight 177.14
AlogP 1.28
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 7.12
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 24554-05-0
NORMAN SUSDAT