Molecule

ID:96062

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂F₃NO₂
Molecular Mass
364.1466096
Exact Mass
363.00406859
Charge
0
InChI
InChI=1S/C15H10Cl2F3NO2/c16-12-4-2-1-3-11(12)13(17)14(22)21-9-5-7-10(8-6-9)23-15(18,19)20/h1-8,13H,(H,21,22)
InChIKey
XMCNHLTYSRTTKO-UHFFFAOYSA-N
Canonic Smiles
O=C(C(c1ccccc1Cl)Cl)Nc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
N(c1ccc(cc1)OC(F)(F)F)C(=O)C(c1ccccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
13.37764
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.719886
LogD (pH = 7.4)
5.7198853
Log P
5.719886
Molar Refractivity
77.9072
Polarizability
30.476412
Polar Surface Area
38.33
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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