Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 8STT15Y392

Structure

InChI Key LTWIBTYLSRDGHP-UHFFFAOYSA-N
Smiles Cl.Clc2ccc(C=NNC(=N)NN=Cc1ccc(Cl)cc1)cc2
InChI
InChI=1/C15H13Cl2N5.ClH/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12;/h1-10H,(H3,18,21,22);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14Cl3N5
Molecular Weight 369.03
AlogP 3.9
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 72.63
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 25875-50-7
NORMAN SUSDAT
FDA SRS 8STT15Y392