Molecule

ID:107754

General Information
Structure
MolImage
Molecular Formula
C₄H₂O₆Tl₂
Molecular Mass
554.82168
Exact Mass
555.93399178
Charge
0
InChI
InChI=1S/C4H4O6.2Tl/c5-2(6)1-3(7)10-4(8)9;;/h1H2,(H,5,6)(H,8,9);;/q;2*+1/p-2
InChIKey
QHRSTSUOSNUUHN-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)CC(=O)OC(=O)[O-].[Tl+].[Tl+]
Isomeric Smiles
[Tl+].[Tl+].[O-]C(=O)CC(=O)OC(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.1762073
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-2.3180327
LogD (pH = 7.4)
-4.5792694
Log P
0.053106107
Molar Refractivity
46.9548
Polarizability
10.180983
Polar Surface Area
106.56
Rotatable Bonds
4
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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