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

Structure

InChI Key FSHFBXAKOWSXJE-UHFFFAOYSA-N
Smiles N(=NC1=CC(OC)=CC=C1OC)C2=CC=C(C=C2)N(C)C
InChI
InChI=1/C16H19N3O2/c1-19(2)13-7-5-12(6-8-13)17-18-15-11-14(20-3)9-10-16(15)21-4/h5-11H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O2
Molecular Weight 285.15
AlogP 4.19
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 46.42
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 59528-04-0
NORMAN SUSDAT
PubChem 101074