Molecule

ID:111926

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₆
Molecular Mass
282.28912
Exact Mass
282.1103383
Charge
0
InChI
InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKey
HSUIVCLOAAJSRE-UHFFFAOYSA-N
Canonic Smiles
COCCOC(=O)c1ccccc1C(=O)OCCOC
Isomeric Smiles
COCCOC(=O)c1ccccc1C(=O)OCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8862487
LogD (pH = 7.4)
1.8862487
Log P
1.8862487
Molar Refractivity
72.1956
Polarizability
27.994137
Polar Surface Area
71.06
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
No Data Available
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Molecule Details
References
Bioactivity
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