Molecule

ID:114956

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₂N₂O₂
Molecular Mass
224.1636464
Exact Mass
224.03973388
Charge
0
InChI
InChI=1S/C10H6F2N2O2/c11-5-1-2-6(7(12)3-5)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
LRDOJMOGOIKYLF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)c1n[nH]c(c1)C(=O)O
Isomeric Smiles
c1(cc(n[nH]1)c1c(cc(cc1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4871316
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.16768438
LogD (pH = 7.4)
-1.2058452
Log P
2.1734934
Molar Refractivity
52.0761
Polarizability
19.877848
Polar Surface Area
65.98
Rotatable Bonds
2
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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