Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1O71UA6O72
EPA CompTox DTXSID3059341

Structure

InChI Key VZXOZSQDJJNBRC-UHFFFAOYSA-N
Smiles Sc1ccc(Cl)cc1
InChI
InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Cl1S1
Molecular Weight 143.98
AlogP 2.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 106-54-7
NORMAN SUSDAT
FDA SRS 1O71UA6O72
PubChem 7815
ChemSpider 7527.0