Molecule

ID:107896

General Information
Structure
MolImage
Molecular Formula
H₁₆Nd₂O₂₀S₃
Molecular Mass
720.79004
Exact Mass
715.75515191
Charge
0
InChI
InChI=1S/2Nd.3H2O4S.8H2O/c;;3*1-5(2,3)4;;;;;;;;/h;;3*(H2,1,2,3,4);8*1H2/q2*+3;;;;;;;;;;;/p-6
InChIKey
IOUARGWNXMWCLD-UHFFFAOYSA-H
Canonic Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O.O.O.O.O.O.O.O.[Nd+3].[Nd+3]
Isomeric Smiles
O.O.O.O.O.O.O.O.[Nd+3].[Nd+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-5.569452
LogD (pH = 7.4)
-5.594027
Log P
-0.841552
Molar Refractivity
11.5274
Polarizability
6.037845
Polar Surface Area
80.26
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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