Details of the Drug

General Information of Drug (ID: DMQ1D9A)

Drug Name

4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID

Synonyms

5731-10-2; 4-(4-Fluorophenyl)benzoic acid; 4'-Fluoro-biphenyl-4-carboxylic acid; 4'-fluorobiphenyl-4-carboxylic acid; 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID; 4'-Fluoro-biphenyl-4-carboxylic aci; 4'-Fluoro-[1,1'-biphenyl]-4-carboxylic acid; CHEMBL106708; MFCD01631909; 4-(4-Fluorophenyl)benzoic acid, 97%; 4'-fluoro[1,1'-biphenyl]-4-carboxylic acid; 4FC; 4'-fluoro(1,1'-biphenyl)-4-carboxylic acid; 1ysg; 4-Biphenyl-4'-fluoro-carboxylicacid; 4-Biphenyl-4'-fluoro-carboxylic acid; PubChem10277; 1,5-dibenzoyloxybenzene

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

216.21

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9FO2
IUPAC Name: 4-(4-fluorophenyl)benzoic acid
Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)F)C(=O)O
InChI: InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
InChIKey: LXWNTLBMNCXRQN-UHFFFAOYSA-N