Molecule

ID:43394

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
InChIKey
OEYSQQVQGGLOQP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)F)C#N
Isomeric Smiles
c1c(c(cc(c1)C(=O)OCC)F)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3323288
LogD (pH = 7.4)
2.3323288
Log P
2.3323288
Molar Refractivity
48.7699
Polarizability
18.14883
Polar Surface Area
50.09
Rotatable Bonds
3
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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