Molecule

ID:83718

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₀O₄
Molecular Mass
348.3918
Exact Mass
348.13615912
Charge
0
InChI
InChI=1S/C22H20O4/c1-24-22(23)19-12-20(25-15-17-8-4-2-5-9-17)14-21(13-19)26-16-18-10-6-3-7-11-18/h2-14H,15-16H2,1H3
InChIKey
GBQCMRLPXFXVIN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OCc2ccccc2)cc(c1)OCc1ccccc1
Isomeric Smiles
O=C(c1cc(cc(c1)OCc1ccccc1)OCc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.1103263
LogD (pH = 7.4)
5.1103263
Log P
5.1103263
Molar Refractivity
100.2349
Polarizability
38.966248
Polar Surface Area
44.76
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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