Molecule

ID:104117

General Information
Structure
MolImage
Molecular Formula
C₆H₁₈N₆O₄S
Molecular Mass
270.30992
Exact Mass
270.11102409
Charge
0
InChI
InChI=1S/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)
InChIKey
RWTGFMPOODRXIM-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.NC(=N)NCCCCNC(=N)N
Isomeric Smiles
NC(=N)NCCCCNC(=N)N.OS(=O)(=O)O
Calculated Properties
JChem
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-6.3435473
LogD (pH = 7.4)
-6.3410063
Log P
-1.5126618
Molar Refractivity
68.8078
Polarizability
17.81326
Polar Surface Area
123.8
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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