Molecule

ID:133942

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃ClF₃NO₂
Molecular Mass
343.7281296
Exact Mass
343.058691
Charge
0
InChI
InChI=1S/C16H13ClF3NO2/c1-2-23-14-6-4-3-5-11(14)15(22)21-10-7-8-13(17)12(9-10)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKey
YDXZSNHARVUYNM-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
CCOc1ccccc1C(=O)Nc1ccc(c(c1)C(F)(F)F)Cl
Calculated Properties
JChem
Acid pKa
10.602757
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.746157
LogD (pH = 7.4)
4.745902
Log P
4.7461605
Molar Refractivity
83.5818
Polarizability
30.326454
Polar Surface Area
38.33
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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