Molecule

ID:70089

General Information
Structure
MolImage
Molecular Formula
C₄H₁₄N₄O₆S
Molecular Mass
246.24216
Exact Mass
246.06340519
Charge
0
InChI
InChI=1S/2C2H6N2O.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey
QSCPQKVWSNUJLJ-UHFFFAOYSA-N
Canonic Smiles
[O-]S(=O)(=O)[O-].COC(=[NH2+])N.COC(=[NH2+])N
Isomeric Smiles
[NH2+]=C(OC)N.[NH2+]=C(OC)N.S(=O)(=O)([O-])[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.777157
LogD (pH = 7.4)
-2.2703793
Log P
-0.3742357
Molar Refractivity
29.7525
Polarizability
7.299756
Polar Surface Area
60.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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