Molecule

ID:43173

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈FNO₃
Molecular Mass
233.1952232
Exact Mass
233.04882134
Charge
0
InChI
InChI=1S/C12H8FNO3/c13-9-3-1-7(2-4-9)11(15)8-5-10(12(16)17)14-6-8/h1-6,14H,(H,16,17)
InChIKey
GBIOXGAYNWXARD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)O
Isomeric Smiles
c1(cc([nH]c1)C(=O)O)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
3.5932052
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.33085865
LogD (pH = 7.4)
-1.1125891
Log P
2.232769
Molar Refractivity
58.7424
Polarizability
21.764507
Polar Surface Area
70.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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