Molecule
ID:66154
General Information
Molecular Formula
C₁₃H₉F₂N
Molecular Mass
217.2140664
Exact Mass
217.07030573
Charge
0
InChI
InChI=1S/C13H9F2N/c14-13(15)9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13/h1-8,16H
InChIKey
ZGFJELBXRKBSFX-UHFFFAOYSA-N
Canonic Smiles
FC1(F)c2ccccc2Nc2c1cccc2
Isomeric Smiles
c1cccc2Nc3ccccc3C(c12)(F)F
Calculated Properties
JChem
Acid pKa
17.001778
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7877939
LogD (pH = 7.4)
3.7877939
Log P
3.7877939
Molar Refractivity
58.2904
Polarizability
21.540411
Polar Surface Area
12.03
Rotatable Bonds
0
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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