Molecule

ID:40036

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉ClF₃NO₂
Molecular Mass
339.6963696
Exact Mass
339.02739087
Charge
0
InChI
InChI=1S/C16H9ClF3NO2/c17-11-4-5-13-12(7-11)14(22)15(23)21(13)8-9-2-1-3-10(6-9)16(18,19)20/h1-7H,8H2
InChIKey
AYQIJHRKAZYGGX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
N1(C(=O)C(=O)c2c1ccc(c2)Cl)Cc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.021976
LogD (pH = 7.4)
4.021976
Log P
4.021976
Molar Refractivity
78.982
Polarizability
29.029207
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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