Molecule
ID:109396
General Information
Molecular Formula
C₂H₁₀N₂O₄S
Molecular Mass
158.1768
Exact Mass
158.03612781
Charge
0
InChI
InChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)
InChIKey
BNZCDZDLTIHJAC-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.NCCN
Isomeric Smiles
NCCN.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
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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