Molecule

ID:102726

General Information
Structure
MolImage
Molecular Formula
C₇H₄NNaO₃S
Molecular Mass
205.16633
Exact Mass
204.98095827
Charge
0
InChI
InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey
WINXNKPZLFISPD-UHFFFAOYSA-M
Canonic Smiles
[O-]C1=NS(=O)(=O)c2c1cccc2.[Na+]
Isomeric Smiles
[Na+].[O-]C1=NS(=O)(=O)c2c1cccc2
Calculated Properties
JChem
Acid pKa
5.8270383
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.64877653
LogD (pH = 7.4)
-0.76333463
Log P
0.81631434
Molar Refractivity
53.2663
Polarizability
16.711176
Polar Surface Area
69.56
Rotatable Bonds
0
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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