Molecule

ID:53707

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇F₂NO₄S
Molecular Mass
369.3829864
Exact Mass
369.08463547
Charge
0
InChI
InChI=1S/C17H17F2NO4S/c1-2-10-25(22,23)20-14-9-8-13(18)15(16(14)19)17(21)24-11-12-6-4-3-5-7-12/h3-9,20H,2,10-11H2,1H3
InChIKey
ODYMHSYQVJAYIB-UHFFFAOYSA-N
Canonic Smiles
CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)OCc1ccccc1)F
Isomeric Smiles
S(=O)(=O)(Nc1c(c(C(=O)OCc2ccccc2)c(cc1)F)F)CCC
Calculated Properties
JChem
Acid pKa
7.110952
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3819609
LogD (pH = 7.4)
3.0091143
Log P
3.3912585
Molar Refractivity
89.2083
Polarizability
34.636036
Polar Surface Area
72.47
Rotatable Bonds
7
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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