Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QUV3YCP28R

Structure

InChI Key FXNNRWAIGIEAST-UHFFFAOYSA-N
Smiles Nc1c(Cl)cc(CC2=NCCN2)cc1Cl
InChI
InChI=1S/C10H11Cl2N3/c11-7-3-6(4-8(12)10(7)13)5-9-14-1-2-15-9/h3-4H,1-2,5,13H2,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11Cl2N3
Molecular Weight 243.03
AlogP 2.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 50.41
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 130759-56-7
NORMAN SUSDAT
FDA SRS QUV3YCP28R