Molecule

ID:112088

General Information
Structure
MolImage
Molecular Formula
C₆H₉O₆Tl
Molecular Mass
381.51536
Exact Mass
382.01434001
Charge
0
InChI
InChI=1S/3C2H4O2.Tl/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKey
SMRRYUGQTFYZGD-UHFFFAOYSA-K
Canonic Smiles
[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Tl+3]
Isomeric Smiles
[Tl+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.54344
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.2242727
LogD (pH = 7.4)
-2.9968748
Log P
-0.22334571
Molar Refractivity
23.4808
Polarizability
4.912116
Polar Surface Area
40.13
Rotatable Bonds
0
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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