ORAZIPONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64R9Y5FE39

Structure

InChI Key CAWYWWPWSAMGBV-UHFFFAOYSA-N
Smiles CC(=O)C(=Cc1ccc(cc1)[S](C)(=O)=O)C(C)=O
InChI
InChI=1S/C13H14O4S/c1-9(14)13(10(2)15)8-11-4-6-12(7-5-11)18(3,16)17/h4-8H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14O4S1
Molecular Weight 266.06
AlogP 1.65
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 68.28
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 137109-78-5
NORMAN SUSDAT
FDA SRS 64R9Y5FE39
CONTENTS