Molecule

ID:78649

General Information
Structure
MolImage
Molecular Formula
C₅H₃NaO₅S
Molecular Mass
198.12909
Exact Mass
197.95988848
Charge
0
InChI
InChI=1S/C5H4O5S.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);/q;+1/p-1
InChIKey
ZTJAVDOZUQPVAV-UHFFFAOYSA-M
Canonic Smiles
[Na]OS(=O)(=O)c1ccc(o1)C=O
Isomeric Smiles
S(=O)(=O)(c1ccc(o1)C=O)O[Na]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4224
LogD (pH = 7.4)
0.4224
Log P
0.4224
Molar Refractivity
33.6943
Polarizability
15.8863735
Polar Surface Area
73.58
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
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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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