Molecule

ID:43926

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂O₄
Molecular Mass
362.41838
Exact Mass
362.15180918
Charge
0
InChI
InChI=1S/C23H22O4/c24-17-19-7-9-21(10-8-19)25-15-4-16-26-22-11-13-23(14-12-22)27-18-20-5-2-1-3-6-20/h1-3,5-14,17H,4,15-16,18H2
InChIKey
FSAGYYQRBXWNLI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O=Cc1ccc(cc1)OCCCOc1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.798888
LogD (pH = 7.4)
4.798888
Log P
4.798888
Molar Refractivity
105.5986
Polarizability
40.806686
Polar Surface Area
44.76
Rotatable Bonds
10
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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