Molecule

ID:43925

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₂O₄
Molecular Mass
362.41838
Exact Mass
362.15180918
Charge
0
InChI
InChI=1S/C23H22O4/c24-17-20-8-4-9-23(16-20)26-15-5-14-25-21-10-12-22(13-11-21)27-18-19-6-2-1-3-7-19/h1-4,6-13,16-17H,5,14-15,18H2
InChIKey
URDLVSIMGBFMAE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O=Cc1cc(OCCCOc2ccc(OCc3ccccc3)cc2)ccc1
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
40.80731
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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