Molecule

ID:14503

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₆S
Molecular Mass
182.15184
Exact Mass
181.98850891
Charge
0
InChI
InChI=1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
WDYRPTWUNMHTJL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CS(=O)(=O)CC(=O)O
Isomeric Smiles
S(=O)(=O)(CC(=O)O)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.5570037
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-6.490306
LogD (pH = 7.4)
-8.386718
Log P
-1.4318699
Molar Refractivity
32.2042
Polarizability
13.7749815
Polar Surface Area
108.74
Rotatable Bonds
4
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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