Molecule

ID:105513

General Information
Structure
MolImage
Molecular Formula
H₈N₂O₈S₂
Molecular Mass
228.20212
Exact Mass
227.97220723
Charge
0
InChI
InChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)
InChIKey
ROOXNKNUYICQNP-UHFFFAOYSA-N
Canonic Smiles
[O-]S(=O)(=O)OOS(=O)(=O)[O-].[NH4+].[NH4+]
Isomeric Smiles
[NH4+].[NH4+].[O-]S(=O)(=O)OOS(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-3.4752414
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-5.686493
LogD (pH = 7.4)
-5.6864934
Log P
-0.9336958
Molar Refractivity
22.8694
Polarizability
12.07569
Polar Surface Area
132.86
Rotatable Bonds
3
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
References
Bioactivity
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