Molecule

ID:39796

General Information
Structure
MolImage
Molecular Formula
C₆H₄IKO₃S
Molecular Mass
322.16193
Exact Mass
321.85629467
Charge
0
InChI
InChI=1S/C6H5IO3S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKey
JKXILXFUIWOQAP-UHFFFAOYSA-M
Canonic Smiles
Ic1ccc(cc1)S(=O)(=O)[O-].[K+]
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)I)[O-].[K+]
Calculated Properties
JChem
Acid pKa
-2.7633464
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.29330122
LogD (pH = 7.4)
-0.29330176
Log P
2.083097
Molar Refractivity
48.9213
Polarizability
20.248653
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
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References
Bioactivity
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