Molecule

ID:110533

General Information
Structure
MolImage
Molecular Formula
C₃H₆AlO₆
Molecular Mass
165.057678
Exact Mass
164.99797654
Charge
0
InChI
InChI=1S/3CH2O2.Al/c3*2-1-3;/h3*1H,(H,2,3);/q;;;+3/p-3
InChIKey
MJWPFSQVORELDX-UHFFFAOYSA-K
Canonic Smiles
[O-]C=O.[O-]C=O.[O-]C=O.[AlH3+3]
Isomeric Smiles
[AlH3+3].[O-]C=O.[O-]C=O.[O-]C=O
Calculated Properties
JChem
Acid pKa
4.269118
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.5255477
LogD (pH = 7.4)
-3.257304
Log P
-0.27204442
Molar Refractivity
18.9903
Polarizability
3.1383486
Polar Surface Area
40.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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