Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EQL8JA6BSZ
EPA CompTox DTXSID0075362

Structure

InChI Key YPNZJHFXFVLXSE-UHFFFAOYSA-N
Smiles Cc1cccc(Cl)c1O
InChI
InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Cl1O1
Molecular Weight 142.02
AlogP 2.35
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 87-64-9
NORMAN SUSDAT
FDA SRS EQL8JA6BSZ
PubChem 6898
ChemSpider 6632.0