rofecoxib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 172
Total Number of Articles : 750
PubChem 5090
Molecular Formula

C17H14O4S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

InChI

InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

synonyms
  • rofecoxib
  • 162011-90-7
  • Vioxx
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Properties
Property Value
MW 314.4 g/mol
HBD 0
HBA 4
Rotatable Bond Count 3
Exact Mass 314.06128010 g/mol
Monoisotopic Mass 314.06128010 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 556
xlogp 2.3
Topological Polar Surface Area 68.8