Molecule

ID:130954

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁AlO₆
Molecular Mass
324.305178
Exact Mass
324.11535202
Charge
0
InChI
InChI=1S/3C5H8O2.Al/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/q;;;+3/p-3/b3*4-3-;
InChIKey
KILURZWTCGSYRE-LNTINUHCSA-K
Canonic Smiles
C/C(=C/C(=O)C)/O[Al](O/C(=C\C(=O)C)/C)O/C(=C\C(=O)C)/C
Isomeric Smiles
C/C(=C/C(=O)C)/O[Al](O/C(=C\C(=O)C)/C)O/C(=C\C(=O)C)/C
Calculated Properties
JChem
Acid pKa
19.019745
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.3069
LogD (pH = 7.4)
1.3069
Log P
1.3069
Molar Refractivity
82.2747
Polarizability
32.497826
Polar Surface Area
78.9
Rotatable Bonds
9
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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