Molecule

ID:95694

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₃F₃N₂O₃
Molecular Mass
365.5204496
Exact Mass
363.93960976
Charge
0
InChI
InChI=1S/C10H6Cl3F3N2O3/c1-2-21-9(20)4-3-18(8(19)5(11)7(12)13)17-6(4)10(14,15)16/h3H,2H2,1H3
InChIKey
GPNQMAJTJXQKHP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn(nc1C(F)(F)F)C(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
n1(nc(c(c1)C(=O)OCC)C(F)(F)F)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1207964
LogD (pH = 7.4)
3.1207964
Log P
3.1207964
Molar Refractivity
81.2299
Polarizability
26.185562
Polar Surface Area
61.19
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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