Molecule

ID:114463

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₂N₂O₄
Molecular Mass
268.1731464
Exact Mass
268.02956312
Charge
0
InChI
InChI=1S/C11H6F2N2O4/c12-5-1-2-8(7(13)3-5)15-9(16)6(10(17)18)4-14-11(15)19/h1-4H,(H,14,19)(H,17,18)
InChIKey
CWIHFAPAYKHYAI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)n1c(=O)[nH]cc(c1=O)C(=O)O
Isomeric Smiles
n1(c(=O)c(c[nH]c1=O)C(=O)O)c1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
2.5519667
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9492753
LogD (pH = 7.4)
-2.610895
Log P
0.89899045
Molar Refractivity
57.1507
Polarizability
21.249493
Polar Surface Area
86.71
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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