Molecule

ID:43900

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₀O₄
Molecular Mass
348.3918
Exact Mass
348.13615912
Charge
0
InChI
InChI=1S/C22H20O4/c23-16-19-7-4-8-22(15-19)25-14-13-24-20-9-11-21(12-10-20)26-17-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2
InChIKey
LAORPRYYIFUXSL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O=Cc1cc(OCCOc2ccc(OCc3ccccc3)cc2)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.7389283
LogD (pH = 7.4)
4.7389283
Log P
4.7389283
Molar Refractivity
100.7332
Polarizability
38.963226
Polar Surface Area
44.76
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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