Molecule

ID:89369

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₂NaO₃S
Molecular Mass
210.18615
Exact Mass
210.00750738
Charge
0
InChI
InChI=1S/C6H8N2O3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,7-8H2,(H,9,10,11);/q;+1/p-1
InChIKey
WYSWTEPAYPNWDV-UHFFFAOYSA-M
Canonic Smiles
Nc1ccc(c(c1)N)S(=O)(=O)[O-].[Na+]
Isomeric Smiles
Nc1c(ccc(c1)N)S(=O)(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-4.7353497
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.4790154
LogD (pH = 7.4)
-2.8717892
Log P
-0.7937633
Molar Refractivity
44.9596
Polarizability
17.19679
Polar Surface Area
109.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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