Molecule

ID:96123

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₁ClF₁₃NO
Molecular Mass
563.7396816
Exact Mass
563.03215852
Charge
0
InChI
InChI=1S/C20H11ClF13NO/c21-11-7-5-10(6-8-11)9-35-14(36)12-3-1-2-4-13(12)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)34/h1-8H,9H2,(H,35,36)
InChIKey
GTSGINNGSAZHFA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CNC(=O)c1ccccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N(C(=O)c1c(cccc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.367122
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.7571416
LogD (pH = 7.4)
7.757142
Log P
7.757142
Molar Refractivity
98.7642
Polarizability
35.9735
Polar Surface Area
29.1
Rotatable Bonds
9
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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