Molecular Identity
Diflunisal
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
PubChem CID: 3059
Diflunisal can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C13H8F2O3
Molecular Formula
250.20
Molecular Weight
g/mol
250.0442
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
311
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)OSynonyms(20)
diflunisal22494-42-4DolobidDolobisFlovacil5-(2,4-Difluorophenyl)salicylic acid5-(2,4-difluorophenyl)-2-hydroxybenzoic acidDiflunisalum[1,1'-Biphenyl]-3-carboxylic acid, 2',4'-difluoro-4-hydroxy-2',4'-Difluoro-4-hydroxy-3-biphenylcarboxylic acid2-(Hydroxy)-5-(2,4-difluorophenyl)benzoic acidDTXSID50229322',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid5-[2,4-Difluorophenyl]salicylic acidMK647
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Diflunisal
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