Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J9YKN18E7R
EPA CompTox DTXSID1061314

Structure

InChI Key GPZXFICWCMCQPF-UHFFFAOYSA-N
Smiles Cc1c(cccc1)C(=O)Cl
InChI
InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7Cl1O1
Molecular Weight 154.02
AlogP 2.37
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 933-88-0
NORMAN SUSDAT
FDA SRS J9YKN18E7R
PubChem 70276
ChemSpider 63460.0