Molecule

ID:110396

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄N₈O₆S
Molecular Mass
302.26896
Exact Mass
302.07570121
Charge
0
InChI
InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)
InChIKey
IATXFPUBPMZBPH-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.NC(=N)NC(=O)N.NC(=N)NC(=O)N
Isomeric Smiles
OS(=O)(=O)O.NC(=N)NC(=O)N.NC(=N)NC(=O)N
Calculated Properties
JChem
Acid pKa
13.471728
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
-3.780919
LogD (pH = 7.4)
-2.3057442
Log P
-1.638943
Molar Refractivity
33.9793
Polarizability
8.76525
Polar Surface Area
104.99
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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