Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V7UKW326CZ
EPA CompTox DTXSID8051831

Structure

InChI Key HJCIGAUHTJBHBQ-UHFFFAOYSA-N
Smiles Cc1nc2c(o1)ccc(Cl)c2
InChI
InChI=1S/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl1N1O1
Molecular Weight 167.01
AlogP 2.79
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 19219-99-9
NORMAN SUSDAT
FDA SRS V7UKW326CZ
PubChem 29510
ChemSpider 20569.0