Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80238263

Structure

InChI Key ZIOISVUUZNUJNX-UHFFFAOYSA-N
Smiles Cc1cc(Cl)c(O)c2c1cccn2
InChI
InChI=1S/C10H8ClNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8Cl1N1O1
Molecular Weight 193.03
AlogP 2.9
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 90799-56-7
NORMAN SUSDAT
PubChem 3021730
ChemSpider 2288340.0