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

Structure

InChI Key WJJVDJLKISXDQN-UHFFFAOYSA-N
Smiles CC(=O)N1CCc2c3cc(ccc3[nH]c12)O
InChI
InChI=1S/C12H12N2O2/c1-7(15)14-5-4-9-10-6-8(16)2-3-11(10)13-12(9)14/h2-3,6,13,16H,4-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Weight 216.09
AlogP 1.78
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 56.33
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 154700052