Molecule

ID:86892

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂O₇
Molecular Mass
326.34168
Exact Mass
326.13655304
Charge
0
InChI
InChI=1S/C16H22O7/c1-6-22-15(17)13(16(18)23-7-2)10-8-11(19-3)14(21-5)12(9-10)20-4/h8-9,13H,6-7H2,1-5H3
InChIKey
NGQMPJLAVXJZAZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1cc(OC)c(c(c1)OC)OC)C(=O)OCC
Isomeric Smiles
O(CC)C(=O)C(c1cc(c(c(c1)OC)OC)OC)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.530273
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.8666554
LogD (pH = 7.4)
-0.82543045
Log P
1.8780632
Molar Refractivity
82.0823
Polarizability
32.391308
Polar Surface Area
80.29
Rotatable Bonds
10
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
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Molecule Details
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References
Bioactivity
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