Molecule
ID:97399
General Information
Molecular Formula
C₁₂H₁₀F₂N₂O
Molecular Mass
236.2174064
Exact Mass
236.07611939
Charge
0
InChI
InChI=1S/C12H10F2N2O/c1-8(17)16-11(7-10(15-16)12(13)14)9-5-3-2-4-6-9/h2-7,12H,1H3
InChIKey
IHARCUHUBIUWPX-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(n(n1)C(=O)C)c1ccccc1)F
Isomeric Smiles
n1(nc(cc1c1ccccc1)C(F)F)C(=O)C
Calculated Properties
JChem
Acid pKa
19.002392
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7105095
LogD (pH = 7.4)
1.7105095
Log P
1.7105095
Molar Refractivity
58.7597
Polarizability
23.067259
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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