Molecule

ID:103329

General Information
Structure
MolImage
Molecular Formula
C₂H₂INaO₂
Molecular Mass
207.93032
Exact Mass
207.89972159
Charge
0
InChI
InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKey
AGDSCTQQXMDDCV-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CI.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)CI
Calculated Properties
JChem
Acid pKa
3.0473845
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6969876
LogD (pH = 7.4)
-2.7464745
Log P
0.7222152
Molar Refractivity
36.5646
Polarizability
10.381431
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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