Molecule

ID:107869

General Information
Structure
MolImage
Molecular Formula
Al₂Be₃H₆O₁₈Si₆
Molecular Mass
543.549462
Exact Mass
542.8165964
Charge
0
InChI
InChI=1S/2Al.3Be.6O3Si/c;;;;;6*1-4(2)3/q2*+3;3*+2;6*-2
InChIKey
NJJFVOQXYCEZLO-UHFFFAOYSA-N
Canonic Smiles
[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Be+2].[Be+2].[Be+2].[AlH3+3].[AlH3+3]
Isomeric Smiles
[Be+2].[Be+2].[Be+2].[AlH3+3].[AlH3+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.8386958
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.9526522
LogD (pH = 7.4)
-3.6213615
Log P
-1.3788
Molar Refractivity
4.3287
Polarizability
4.5841517
Polar Surface Area
63.19
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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