Molecule

ID:44122

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂O₅
Molecular Mass
378.41778
Exact Mass
378.1467238
Charge
0
InChI
InChI=1S/C23H22O5/c1-25-23(24)19-7-9-20(10-8-19)26-15-16-27-21-11-13-22(14-12-21)28-17-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3
InChIKey
VNVHQDMCBBLSOQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCOc1ccc(OCc2ccccc2)cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.029903
LogD (pH = 7.4)
5.029903
Log P
5.029903
Molar Refractivity
106.1745
Polarizability
41.482334
Polar Surface Area
53.99
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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