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

Structure

InChI Key DXESFJJJWBHLJX-CUOATXAZSA-N
Smiles C[C@H]1[C@H]2Cc3ccc(cc3C1(CCN2)C)O
InChI
InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13+,14?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N1O1
Molecular Weight 217.15
AlogP 2.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 32.26
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 12371106
ChemSpider 1171.0