Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A3XQZ2GV2E
EPA CompTox DTXSID40194679

Structure

InChI Key BBHMZHDPVNXFMI-UHFFFAOYSA-N
Smiles Clc1cccc2c1CCN2
InChI
InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8Cl1N1
Molecular Weight 153.03
AlogP 2.31
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 12.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 41910-64-9
NORMAN SUSDAT
FDA SRS A3XQZ2GV2E
PubChem 3016306
ChemSpider 82482.0