Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W2VJW4350K
EPA CompTox DTXSID0061905

Structure

InChI Key YHOYYHYBFSYOSQ-UHFFFAOYSA-N
Smiles Cc1cccc(c1)C(=O)Cl
InChI
InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)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 1711-06-4
NORMAN SUSDAT
FDA SRS W2VJW4350K
PubChem 74375
ChemSpider 63340.0