Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B7ISJ0S9T5

Structure

InChI Key UVEPOHNXGXVOJE-UHFFFAOYSA-N
Smiles Cc1c(C(=O)O)c(no1)c1ccccc1Cl
InChI
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8Cl1N1O3
Molecular Weight 237.02
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 63.33
Heavy Atoms 16.0

Cross References

Resources Reference
NORMAN SUSDAT
FDA SRS B7ISJ0S9T5
PubChem 90203
ChemSpider 81435.0