Molecule

ID:39626

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄F₃NO₄S
Molecular Mass
373.3468696
Exact Mass
373.05956359
Charge
0
InChI
InChI=1S/C16H14F3NO4S/c17-16(18,19)12-7-4-8-13(10-12)25(23,24)20-14(15(21)22)9-11-5-2-1-3-6-11/h1-8,10,14,20H,9H2,(H,21,22)
InChIKey
JFDJLMGVJXHLOF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NS(=O)(=O)c1cccc(c1)C(F)(F)F)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)Cc1ccccc1)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.4706655
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3640046
LogD (pH = 7.4)
-0.0010605162
Log P
3.3838751
Molar Refractivity
84.2838
Polarizability
32.46859
Polar Surface Area
83.47
Rotatable Bonds
6
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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