Molecule

ID:89819

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₁₀S₂
Molecular Mass
360.35804
Exact Mass
360.01848871
Charge
0
InChI
InChI=1S/C10H8O6S2.4H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);4*1H2
InChIKey
ZLBLYGIIADHDKG-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.O.O.O.O
Isomeric Smiles
S(=O)(=O)(c1cccc2c(cccc12)S(=O)(=O)O)O.O.O.O.O
Calculated Properties
JChem
Acid pKa
-2.7168899
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.4282577
LogD (pH = 7.4)
-3.4282615
Log P
1.324536
Molar Refractivity
63.7532
Polarizability
27.085737
Polar Surface Area
108.74
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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