Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8J763HFF5N
EPA CompTox DTXSID8041793

Structure

InChI Key ZDPIZLCVJAAHHR-UHFFFAOYSA-N
Smiles Cc1c(c(c(c(n1)C)Cl)O)Cl
InChI
InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Cl2N1O1
Molecular Weight 190.99
AlogP 2.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.86
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2971-90-6
NORMAN SUSDAT
FDA SRS 8J763HFF5N
PubChem 18087
ChemSpider 17084.0