Molecule

ID:39902

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO
Molecular Mass
227.2337032
Exact Mass
227.07464217
Charge
0
InChI
InChI=1S/C14H10FNO/c1-17-13-6-4-10(5-7-13)11-2-3-12(9-16)14(15)8-11/h2-8H,1H3
InChIKey
CBUDFMDIMMTHQP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(c(c1)F)C#N
Isomeric Smiles
c1(c(cc(c2ccc(cc2)OC)cc1)F)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.461598
LogD (pH = 7.4)
3.461598
Log P
3.461598
Molar Refractivity
63.5954
Polarizability
25.272995
Polar Surface Area
33.02
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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