Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B40AZJ572L
EPA CompTox DTXSID40954553

Structure

InChI Key AIPJZPPOFWCJRC-UHFFFAOYSA-N
Smiles ClC1=CC=CC(=C1Cl)CCl
InChI
InChI=1/C7H5Cl3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3
Molecular Weight 193.95
AlogP 3.73
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3290-01-5
NORMAN SUSDAT
FDA SRS B40AZJ572L
PubChem 76790