Molecule

ID:108367

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀Ba₂O₃₀Sb₂
Molecular Mass
1258.5288
Exact Mass
1257.62206324
Charge
0
InChI
InChI=1S/5C4H6O6.2Ba.2Sb/c5*5-1(3(7)8)2(6)4(9)10;;;;/h5*1-2,5-6H,(H,7,8)(H,9,10);;;;/q;;;;;2*+2;2*+3/p-10
InChIKey
BYONAXBLARPURO-UHFFFAOYSA-D
Canonic Smiles
OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].OC(C(C(=O)[O-])O)C(=O)[O-].[Sb+3].[Sb+3].[Ba+2].[Ba+2]
Isomeric Smiles
[Sb+3].[Sb+3].[Ba+2].[Ba+2].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.719041
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-5.323427
LogD (pH = 7.4)
-7.890869
Log P
-1.8287998
Molar Refractivity
47.8876
Polarizability
10.630576
Polar Surface Area
120.72
Rotatable Bonds
15
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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