Molecule

ID:132193

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄O₆
Molecular Mass
384.42236
Exact Mass
384.15728849
Charge
0
InChI
InChI=1S/C22H24O6/c1-14-4-8-16(9-5-14)21(23)26-13-19-18(12-20(25-3)27-19)28-22(24)17-10-6-15(2)7-11-17/h4-11,18-20H,12-13H2,1-3H3
InChIKey
MTMWQYDEGWXCTH-UHFFFAOYSA-N
Canonic Smiles
COC1CC(C(O1)COC(=O)c1ccc(cc1)C)OC(=O)c1ccc(cc1)C
Isomeric Smiles
Cc1ccc(cc1)C(=O)OCC1C(CC(O1)OC)OC(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.2590027
LogD (pH = 7.4)
5.2590027
Log P
5.2590027
Molar Refractivity
102.9278
Polarizability
40.331787
Polar Surface Area
71.06
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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