Molecule

ID:1914

General Information
Structure
MolImage
Molecular Formula
C₃H₄O₆S
Molecular Mass
168.12526
Exact Mass
167.97285885
Charge
0
InChI
InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)
InChIKey
BUTHMSUEBYPMKJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)CS(=O)(=O)O
Isomeric Smiles
OC(=O)C(=O)CS(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.64
LogD (pH = 5.5)
-6.29
Log P
-0.74
Rotatable Bonds
3
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-1.76
Polar Surface Area
108.74
Polarizability
12.49
Molar Refractivity
28.33
LOG S
0.37
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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