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Chemistry

Mol. Mass

314.359

ALogP

2.96

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(N)(=O)=O
  • InChIKey: LNPDTQAFDNKSHK-UHFFFAOYSA-N
    1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL865   ChEMBL
valdecoxib

2919279Q3W   NCATS
valdecoxib *

Valdecoxib   Wikipedia

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