Molecule

ID:103313

General Information
Structure
MolImage
Molecular Formula
H₈N₂O₆S
Molecular Mass
164.13832
Exact Mass
164.01030699
Charge
0
InChI
InChI=1S/2H3NO.H2O4S/c2*1-2;1-5(2,3)4/h2*2H,1H2;(H2,1,2,3,4)
InChIKey
VRXOQUOGDYKXFA-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.ON.ON
Isomeric Smiles
NO.NO.OS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.569452
LogD (pH = 7.4)
-5.594027
Log P
-0.841552
Molar Refractivity
13.7708
Polarizability
6.279968
Polar Surface Area
74.6
Rotatable Bonds
0
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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