Molecule

ID:94474

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₂N₂O₃
Molecular Mass
240.1630464
Exact Mass
240.0346485
Charge
0
InChI
InChI=1S/C10H6F2N2O3/c11-4-1-2-6(12)5(3-4)7-8(9(15)16)14-10(17)13-7/h1-3H,(H,15,16)(H2,13,14,17)
InChIKey
WKFMMPKZACQYFA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)c1[nH]c(=O)[nH]c1C(=O)O)F
Isomeric Smiles
[nH]1c(c(c2c(ccc(c2)F)F)[nH]c1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6010602
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.9650693
LogD (pH = 7.4)
-2.6644325
Log P
0.8430597
Molar Refractivity
53.7658
Polarizability
19.33354
Polar Surface Area
78.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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