SULPROSAL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 85LCU5151G

Structure

InChI Key CFUIODLLDBTDMR-UHFFFAOYSA-N
Smiles Oc1ccccc1C(=O)OCCC[S](O)(=O)=O
InChI
InChI=1S/C10H12O6S/c11-9-5-2-1-4-8(9)10(12)16-6-3-7-17(13,14)15/h1-2,4-5,11H,3,6-7H2,(H,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O6S1
Molecular Weight 260.04
AlogP 0.83
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 100.9
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 58703-77-8
NORMAN SUSDAT
FDA SRS 85LCU5151G
CONTENTS