Molecule

ID:109215

General Information
Structure
MolImage
Molecular Formula
Al₂CaH₂O₄
Molecular Mass
160.054556
Exact Mass
159.92097678
Charge
0
InChI
InChI=1S/2Al.Ca.4O/q;;+2;;;2*-1
InChIKey
XFWJKVMFIVXPKK-UHFFFAOYSA-N
Canonic Smiles
[O-][AlH]=O.[O-][AlH]=O.[Ca+2]
Isomeric Smiles
[Ca+2].[O-][AlH]=O.[O-][AlH]=O
Calculated Properties
JChem
Acid pKa
13.822034
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5624
LogD (pH = 7.4)
0.56239986
Log P
0.5624
Molar Refractivity
2.8858
Polarizability
3.6723542
Polar Surface Area
40.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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