Molecule

ID:105556

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₇
Molecular Mass
272.25124
Exact Mass
272.08960285
Charge
0
InChI
InChI=1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3
InChIKey
LLPWGHLVUPBSLP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC1OC=CC(C1OC(=O)C)OC(=O)C
Isomeric Smiles
CC(=O)OCC1OC=CC(OC(=O)C)C1OC(=O)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.31396386
LogD (pH = 7.4)
-0.31396386
Log P
-0.31396386
Molar Refractivity
61.2336
Polarizability
25.050026
Polar Surface Area
88.13
Rotatable Bonds
7
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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