Molecule

ID:7476

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₄N₂O₂
Molecular Mass
302.2243128
Exact Mass
302.06784045
Charge
0
InChI
InChI=1S/C13H10F4N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChIKey
WTDWKMYSOQGLIX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)F
Isomeric Smiles
c1nn(c(c1C(=O)OCC)C(F)(F)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3598998
LogD (pH = 7.4)
3.3599007
Log P
3.3599007
Molar Refractivity
67.2612
Polarizability
24.66278
Polar Surface Area
44.12
Rotatable Bonds
5
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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