Molecule

ID:59082

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆F₄O₄
Molecular Mass
290.1672528
Exact Mass
290.02022155
Charge
0
InChI
InChI=1S/C12H6F4O4/c13-7-3-6(12(14,15)16)4-8(5-7)19-10-2-1-9(20-10)11(17)18/h1-5H,(H,17,18)
InChIKey
MRBYFFDOXJVZMS-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Oc2ccc(o2)C(=O)O)cc(c1)C(F)(F)F
Isomeric Smiles
c1(oc(cc1)Oc1cc(C(F)(F)F)cc(c1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1357424
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9637901
LogD (pH = 7.4)
-0.15487456
Log P
3.301204
Molar Refractivity
57.3893
Polarizability
21.177519
Polar Surface Area
59.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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