Celecoxib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 993
Total Number of Articles : 2731
PubChem 2662
Molecular Formula

C17H14F3N3O2S

SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

synonyms
  • celecoxib
  • 169590-42-5
  • Celebrex
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Properties
Property Value
MW 381.4 g/mol
HBD 1
HBA 7
Rotatable Bond Count 3
Exact Mass 381.07588236 g/mol
Monoisotopic Mass 381.07588236 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 577
xlogp 3.4
Topological Polar Surface Area 86.4