Molecule

ID:44118

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)19-8-5-9-22(16-19)27-15-14-26-20-10-12-21(13-11-20)28-17-18-6-3-2-4-7-18/h2-13,16H,14-15,17H2,1H3
InChIKey
DFQLFGNHCQEXKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=O)(c1cc(OCCOc2ccc(OCc3ccccc3)cc2)ccc1)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
41.482876
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
No Data Available
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Molecule Details
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References
Bioactivity
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