Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII N018S592LP

Structure

InChI Key MTFYFZDTISVQRR-UHFFFAOYSA-O
Smiles [Br-].Clc1ccc(Nc2cc[n+]3ccccc3c2)cc1Cl
InChI
InChI=1S/C15H10Cl2N2/c16-14-5-4-11(10-15(14)17)18-12-6-8-19-7-2-1-3-13(19)9-12/h1-10H/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11Cl2N2
Molecular Weight 289.03
AlogP 2.56
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 18.38
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 40759-33-9
NORMAN SUSDAT
FDA SRS N018S592LP