Molecule

ID:80091

General Information
Structure
MolImage
Molecular Formula
C₇H₉NaO₆S
Molecular Mass
244.19753
Exact Mass
244.00175329
Charge
0
InChI
InChI=1S/C7H6O4S.Na.2H2O/c8-5-6-3-1-2-4-7(6)12(9,10)11;;;/h1-5H,(H,9,10,11);;2*1H2/q;+1;;/p-1
InChIKey
GTFDHQNYDVAIKD-UHFFFAOYSA-M
Canonic Smiles
O=Cc1ccccc1S(=O)(=O)O[Na].O.O
Isomeric Smiles
S(=O)(=O)(c1ccccc1C=O)O[Na].O.O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5313
LogD (pH = 7.4)
1.5313
Log P
1.5313
Molar Refractivity
42.0501
Polarizability
18.808111
Polar Surface Area
60.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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