Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID4071764

Structure

InChI Key HFYGNSUGNRRQFF-UHFFFAOYSA-N
Smiles Cl.NC1=CC=CC=2C=CNC12
InChI
InChI=1/C8H8N2.ClH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-5,10H,9H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8N2
Molecular Weight 168.05
AlogP 2.17
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 41.81
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68833-93-2
NORMAN SUSDAT
PubChem 111634