Molecule

ID:39679

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₄FNO
Molecular Mass
315.3403632
Exact Mass
315.10594229
Charge
0
InChI
InChI=1S/C21H14FNO/c22-19-12-10-16(11-13-19)20(14-23)15-6-8-18(9-7-15)21(24)17-4-2-1-3-5-17/h1-13,20H
InChIKey
AASRCBKEVNIKNS-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccc(cc1)F)c1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
C(=O)(c1ccc(C(c2ccc(cc2)F)C#N)cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.584274
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9477882
LogD (pH = 7.4)
4.9477854
Log P
4.9477882
Molar Refractivity
91.8063
Polarizability
34.739143
Polar Surface Area
40.86
Rotatable Bonds
4
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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