Molecule

ID:96060

General Information
Structure
Molecular Formula
C₁₅H₁₀Cl₂F₃NO
Molecular Mass
348.1472096
Exact Mass
347.00915397
Charge
0
InChI
InChI=1S/C15H10Cl2F3NO/c16-12-4-2-1-3-11(12)13(17)14(22)21-10-7-5-9(6-8-10)15(18,19)20/h1-8,13H,(H,21,22)
InChIKey
WYLHGBBULDRUQZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1Cl)Cl)Nc1ccc(cc1)C(F)(F)F
Isomeric Smiles
N(c1ccc(cc1)C(F)(F)F)C(=O)C(c1ccccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
13.114138
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.1666226
LogD (pH = 7.4)
5.1666217
Log P
5.1666226
Molar Refractivity
80.8106
Polarizability
29.701715
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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