Molecule

ID:51262

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₄S
Molecular Mass
243.27952
Exact Mass
243.0565289
Charge
0
InChI
InChI=1S/C10H13NO4S/c1-16(14,15)11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)
InChIKey
FSCKXSDDVQQISQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NS(=O)(=O)C)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)Cc1ccccc1)C
Calculated Properties
JChem
Acid pKa
3.4960585
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6039339
LogD (pH = 7.4)
-2.984423
Log P
0.39150047
Molar Refractivity
58.1611
Polarizability
23.592136
Polar Surface Area
83.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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