Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G66N97788I

Structure

InChI Key STAYVYIMUXVGBN-UHFFFAOYSA-N
Smiles CCc1ncnc2cc(OC)c(OC)cc12
InChI
InChI=1S/C12H14N2O2/c1-4-9-8-5-11(15-2)12(16-3)6-10(8)14-7-13-9/h5-7H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N2O2
Molecular Weight 218.11
AlogP 2.21
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 44.24
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 4015-32-1
NORMAN SUSDAT
FDA SRS G66N97788I