Molecule
ID:11720
General Information
Molecular Formula
C₇H₄FNaO₂
Molecular Mass
162.0936332
Exact Mass
162.00930187
Charge
0
InChI
InChI=1S/C7H5FO2.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey
AKLMJAAHRPOLKF-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1ccccc1F.[Na+]
Isomeric Smiles
c1ccc(c(c1)C(=O)[O-])F.[Na+]
Calculated Properties
JChem
Acid pKa
3.308875
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.4008987
LogD (pH = 7.4)
-1.6506753
Log P
1.7735306
Molar Refractivity
44.3677
Polarizability
12.319443
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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