Molecule

ID:110031

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈AlO₉
Molecular Mass
297.215358
Exact Mass
297.07662079
Charge
0
InChI
InChI=1S/3C3H6O3.Al/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
InChIKey
VXYADVIJALMOEQ-UHFFFAOYSA-K
Canonic Smiles
CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[AlH3+3]
Isomeric Smiles
[AlH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.7849424
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1885695
LogD (pH = 7.4)
-3.7410624
Log P
-0.4718295
Molar Refractivity
29.6769
Polarizability
7.4274864
Polar Surface Area
60.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation