Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key MHVYMFVTMRDLJG-UHFFFAOYSA-K
Smiles S([Sb](SC1=CC=CC=C1)SC1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/3C6H6S.Sb/c3*7-6-4-2-1-3-5-6;/h3*1-5,7H;/q;;;+3/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15S3Sb1
Molecular Weight 447.94
AlogP 4.4
Hydrogen Bond Acceptor 3.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 28609-58-7
NORMAN SUSDAT