Molecule

ID:72220

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₆S₂
Molecular Mass
259.30052
Exact Mass
259.01842914
Charge
0
InChI
InChI=1S/C6H13NO6S2/c1-13-6(8)4-5-7(14(2,9)10)15(3,11)12/h4-5H2,1-3H3
InChIKey
IRMZNRNJUUFUIQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN(S(=O)(=O)C)S(=O)(=O)C
Isomeric Smiles
N(S(=O)(=O)C)(S(=O)(=O)C)CCC(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-1.9670362
LogD (pH = 7.4)
-1.9670362
Log P
-1.9670362
Molar Refractivity
51.6836
Polarizability
22.356026
Polar Surface Area
97.82
Rotatable Bonds
4
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
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References
Bioactivity
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