Molecule

ID:79300

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNaO₃S
Molecular Mass
264.66061
Exact Mass
263.96238701
Charge
0
InChI
InChI=1S/C10H7ClO3S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6H,(H,12,13,14);/q;+1/p-1
InChIKey
NTOJSIQQSYDLML-UHFFFAOYSA-M
Canonic Smiles
Clc1cccc2c1c(ccc2)S(=O)(=O)[O-].[Na+]
Isomeric Smiles
S(=O)(=O)(c1cccc2cccc(c12)Cl)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-2.2937648
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.37127683
LogD (pH = 7.4)
0.3712752
Log P
2.747674
Molar Refractivity
56.8138
Polarizability
24.19959
Polar Surface Area
57.2
Rotatable Bonds
1
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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