Molecule

ID:41313

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉FN₂
Molecular Mass
236.2437632
Exact Mass
236.07497652
Charge
0
InChI
InChI=1S/C15H9FN2/c16-13-7-5-11(6-8-13)15(10-18)14-4-2-1-3-12(14)9-17/h1-8,15H
InChIKey
BRHKEEJUFXPRIJ-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccccc1C#N)c1ccc(cc1)F
Isomeric Smiles
C(c1c(cccc1)C#N)(c1ccc(cc1)F)C#N
Calculated Properties
JChem
Acid pKa
11.219055
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3445306
LogD (pH = 7.4)
3.3444655
Log P
3.3445313
Molar Refractivity
66.9524
Polarizability
24.91731
Polar Surface Area
47.58
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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