Molecule

ID:95196

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₃F₃N₄O
Molecular Mass
389.5882096
Exact Mass
387.98722866
Charge
0
InChI
InChI=1S/C12H10Cl3F3N4O/c13-8(9(14)15)10(23)21-3-5-22(6-4-21)11-19-2-1-7(20-11)12(16,17)18/h1-2H,3-6H2
InChIKey
YEOGACIQGIAOBP-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F)Cl)Cl
Isomeric Smiles
n1c(nccc1C(F)(F)F)N1CCN(C(=O)C(=C(Cl)Cl)Cl)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0733755
LogD (pH = 7.4)
3.0738459
Log P
3.0738518
Molar Refractivity
92.8585
Polarizability
29.999664
Polar Surface Area
49.33
Rotatable Bonds
3
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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