Molecule

ID:97277

General Information
Structure
Molecular Formula
C₁₀H₅FO₄
Molecular Mass
208.1427032
Exact Mass
208.01718686
Charge
0
InChI
InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
InChIKey
VBSNAYJWUMOGOP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(=O)c(co2)C(=O)O
Isomeric Smiles
o1c2ccc(cc2c(=O)c(c1)C(=O)O)F
Calculated Properties
JChem
Acid pKa
5.603768
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1472888
LogD (pH = 7.4)
-0.39574096
Log P
1.3994256
Molar Refractivity
47.5788
Polarizability
17.817087
Polar Surface Area
63.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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