Molecule

ID:78049

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄N₄O₄S₃
Molecular Mass
278.37336
Exact Mass
278.01771795
Charge
0
InChI
InChI=1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey
BZZXQZOBAUXLHZ-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.CSC(=N)N.CSC(=N)N
Isomeric Smiles
S(=O)(=O)(O)O.S(C(=N)N)C.S(C(=N)N)C
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.0011563
LogD (pH = 7.4)
-1.9397736
Log P
0.4134605
Molar Refractivity
34.9793
Polarizability
9.368552
Polar Surface Area
49.87
Rotatable Bonds
2
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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