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

Structure

InChI Key NZJWITSLFKTATC-UHFFFAOYSA-N
Smiles N#CCCCNCc1ccccc1
InChI
InChI=1/C11H14N2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N2
Molecular Weight 174.12
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 35.82
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 71510-64-0
NORMAN SUSDAT