Molecule

ID:106725

General Information
Structure
MolImage
Molecular Formula
Cl₃H₁₂O₁₈Tl
Molecular Mass
610.82678
Exact Mass
609.88334858
Charge
0
InChI
InChI=1S/3ClHO4.6H2O.Tl/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);6*1H2;/q;;;;;;;;;+3/p-3
InChIKey
OSXCISGVIPGBLK-UHFFFAOYSA-K
Canonic Smiles
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.O.O.O.O.O.[Tl+3]
Isomeric Smiles
O.O.O.O.O.O.[Tl+3].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O
Calculated Properties
JChem
Acid pKa
-6.8919964
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.4740524
LogD (pH = 7.4)
-2.4740524
Log P
-0.097653694
Molar Refractivity
11.9079
Polarizability
5.355259
Polar Surface Area
74.27
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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