Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6H6JXC52ME

Structure

InChI Key HONLKDDLTAZVQV-UHOSZYNNSA-N
Smiles OC1N2C=3C=CC=CC3C4=C2C5N(CC4)CCCC5(CC)C1
InChI
InChI=1/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O
Molecular Weight 296.19
AlogP 3.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 28.4
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 19877-89-5
NORMAN SUSDAT
FDA SRS 6H6JXC52ME
PubChem 10017481