Molecule

ID:12189

General Information
Structure
MolImage
Molecular Formula
C₇H₄FNaO₂
Molecular Mass
162.0936332
Exact Mass
162.00930187
Charge
0
InChI
InChI=1S/C7H5FO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey
GCXUCULHJVOCJG-UHFFFAOYSA-M
Canonic Smiles
Fc1cccc(c1)C(=O)[O-].[Na+]
Isomeric Smiles
c1cc(cc(c1)C(=O)[O-])F.[Na+]
Calculated Properties
JChem
Acid pKa
3.7577567
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.03052693
LogD (pH = 7.4)
-1.5077434
Log P
1.7735306
Molar Refractivity
44.3677
Polarizability
12.317583
Polar Surface Area
40.13
Rotatable Bonds
1
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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