Molecule

ID:87223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NaO₃S
Molecular Mass
230.21555
Exact Mass
230.00135937
Charge
0
InChI
InChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
InChIKey
YWPOLRBWRRKLMW-UHFFFAOYSA-M
Canonic Smiles
[O-]S(=O)(=O)c1ccc2c(c1)cccc2.[Na+]
Isomeric Smiles
S(=O)(=O)(c1ccc2c(c1)cccc2)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-1.8054581
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.23276441
LogD (pH = 7.4)
-0.23276944
Log P
2.1436293
Molar Refractivity
52.009
Polarizability
22.30749
Polar Surface Area
57.2
Rotatable Bonds
1
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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