Molecule

ID:51455

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₂NO
Molecular Mass
221.2027664
Exact Mass
221.06522035
Charge
0
InChI
InChI=1S/C12H9F2NO/c13-11(14)10-7-4-8-15(10)12(16)9-5-2-1-3-6-9/h1-8,11H
InChIKey
MTGNPQCKYUXXEZ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccn1C(=O)c1ccccc1)F
Isomeric Smiles
n1(c(ccc1)C(F)F)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5362027
LogD (pH = 7.4)
2.5362027
Log P
2.5362027
Molar Refractivity
55.7191
Polarizability
20.773954
Polar Surface Area
22.0
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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