Molecule

ID:50986

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClF₃N₂O₂
Molecular Mass
278.6150496
Exact Mass
278.00698978
Charge
0
InChI
InChI=1S/C10H6ClF3N2O2/c1-2-18-9(17)8-7(11)5(3-15)6(4-16-8)10(12,13)14/h4H,2H2,1H3
InChIKey
RSZKROQMMAUQIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncc(c(c1Cl)C#N)C(F)(F)F
Isomeric Smiles
c1(c(c(c(nc1)C(=O)OCC)Cl)C#N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.639698
LogD (pH = 7.4)
2.639698
Log P
2.639698
Molar Refractivity
56.8031
Polarizability
20.971912
Polar Surface Area
62.98
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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