Molecule

ID:121751

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₄S
Molecular Mass
206.2196
Exact Mass
206.03612781
Charge
0
InChI
InChI=1S/C6H8N2O3S.H2O/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4,8H,7H2,(H,9,10,11);1H2
InChIKey
OSOMMFVBTYFMBI-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)S(=O)(=O)O.O
Isomeric Smiles
S(=O)(=O)(c1ccc(NN)cc1)O.O
Calculated Properties
JChem
Acid pKa
-2.297137
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.98712367
LogD (pH = 7.4)
-1.7832525
Log P
-0.57578176
Molar Refractivity
46.3872
Polarizability
17.551153
Polar Surface Area
92.42
Rotatable Bonds
2
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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