Molecule

ID:102971

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Na₂O₈S₂
Molecular Mass
364.25938
Exact Mass
363.92994771
Charge
0
InChI
InChI=1S/C10H8O8S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKey
AFGPCIMUGMJQPD-UHFFFAOYSA-L
Canonic Smiles
Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Isomeric Smiles
[Na+].[Na+].Oc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-2.9548192
H Acceptors
8
H Donor
2
LogD (pH = 5.5)
-4.0373173
LogD (pH = 7.4)
-4.169243
Log P
0.7174054
Molar Refractivity
65.4716
Polarizability
28.228378
Polar Surface Area
154.86
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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