Molecule

ID:77994

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₄
Molecular Mass
286.32242
Exact Mass
286.12050906
Charge
0
InChI
InChI=1S/C17H18O4/c1-2-19-17(18)13-21-16-10-8-15(9-11-16)20-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKey
MYSLHCQKSBLMAR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)OCC(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3630617
LogD (pH = 7.4)
3.3630617
Log P
3.3630617
Molar Refractivity
79.1993
Polarizability
31.240095
Polar Surface Area
44.76
Rotatable Bonds
8
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
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References
Bioactivity
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