Molecule

ID:103639

General Information
Structure
MolImage
Molecular Formula
Cd₃H₁₆O₂₀S₃
Molecular Mass
769.54304
Exact Mass
773.64977991
Charge
0
InChI
InChI=1S/3Cd.3H2O4S.8H2O/c;;;3*1-5(2,3)4;;;;;;;;/h;;;3*(H2,1,2,3,4);8*1H2/q3*+2;;;;;;;;;;;/p-6
InChIKey
AGHQMAQBLOTWPQ-UHFFFAOYSA-H
Canonic Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cd+2].[Cd+2].[Cd+2].O.O.O.O.O.O.O.O
Isomeric Smiles
O.O.O.O.O.O.O.O.[Cd+2].[Cd+2].[Cd+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-5.59
LogD (pH = 5.5)
-5.57
Log P
-0.84
Rotatable Bonds
0
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
-3.03
Polar Surface Area
80.26
Polarizability
5.81
Molar Refractivity
11.53
LOG S
1.12
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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