Molecule
ID:39989
General Information
Molecular Formula
C₁₅H₈F₂N₂
Molecular Mass
254.2342264
Exact Mass
254.06555471
Charge
0
InChI
InChI=1S/C15H8F2N2/c16-11-6-4-10(5-7-11)13(8-18)12-2-1-3-15(17)14(12)9-19/h1-7,13H
InChIKey
FRAYNJTZNABMLR-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1cccc(c1C#N)F)c1ccc(cc1)F
Isomeric Smiles
c1(c(C(c2ccc(cc2)F)C#N)cccc1F)C#N
Calculated Properties
JChem
Acid pKa
10.547298
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4872293
LogD (pH = 7.4)
3.4869244
Log P
3.4872334
Molar Refractivity
67.1688
Polarizability
24.616325
Polar Surface Area
47.58
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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