Molecule

ID:128566

General Information
Structure
MolImage
Molecular Formula
Al₃B₄H₉NdO₁₂
Molecular Mass
469.492874
Exact Mass
467.89896122
Charge
0
InChI
InChI=1S/3Al.4BO3.Nd/c;;;4*2-1(3)4;/q3*+3;4*-3;+3
InChIKey
SHACWCBKHOKZKU-UHFFFAOYSA-N
Canonic Smiles
[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[AlH3+3].[AlH3+3].[AlH3+3].[Nd+3]
Isomeric Smiles
[AlH3+3].[Nd+3].[O-]B([O-])[O-].[AlH3+3].[AlH3+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
Calculated Properties
JChem
Acid pKa
8.698678
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5088733
LogD (pH = 7.4)
-0.52978307
Log P
-0.5086
Molar Refractivity
4.3287
Polarizability
3.917734
Polar Surface Area
69.18
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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