Molecule

ID:130595

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀NNaO₄S
Molecular Mass
263.24547
Exact Mass
263.02282309
Charge
0
InChI
InChI=1S/C10H11NO4S.Na/c12-10(16(13,14)15)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,10-12H,5H2,(H,13,14,15);/q;+1/p-1
InChIKey
WYKPCRCESPDDQX-UHFFFAOYSA-M
Canonic Smiles
OC(S(=O)(=O)[O-])Cc1c[nH]c2c1cccc2.[Na+]
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)CC(O)S(=O)(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-0.90377605
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5900874
LogD (pH = 7.4)
-1.5901306
Log P
0.7862708
Molar Refractivity
57.469
Polarizability
24.349138
Polar Surface Area
93.22
Rotatable Bonds
3
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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