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

Structure

InChI Key UTTCOAGPVHRUFO-UHFFFAOYSA-N
Smiles OC1CN(CC=2C=CC=CC2)CCC1
InChI
InChI=1/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO
Molecular Weight 191.13
AlogP 1.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 14813-01-5
NORMAN SUSDAT
PubChem 85773