Molecule

ID:95672

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅F₄NO₂S₂
Molecular Mass
393.4194128
Exact Mass
393.04803361
Charge
0
InChI
InChI=1S/C16H15F4NO2S2/c17-14-7-1-2-8-15(14)24-10-4-9-21-25(22,23)13-6-3-5-12(11-13)16(18,19)20/h1-3,5-8,11,21H,4,9-10H2
InChIKey
DCFSOYBOYBJQNO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1SCCCNS(=O)(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1cc(ccc1)C(F)(F)F)NCCCSc1ccccc1F
Calculated Properties
JChem
Acid pKa
9.99342
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2096105
LogD (pH = 7.4)
4.208643
Log P
4.209623
Molar Refractivity
91.0652
Polarizability
34.6306
Polar Surface Area
46.17
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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