Molecule

ID:83829

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀O₄
Molecular Mass
360.4025
Exact Mass
360.13615912
Charge
0
InChI
InChI=1S/C23H20O4/c1-25-18-12-13-20(26-15-16-8-4-2-5-9-16)19(14-18)21(24)23-22(27-23)17-10-6-3-7-11-17/h2-14,22-23H,15H2,1H3
InChIKey
YNZXZSPSRYLTNW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(=O)C1OC1c1ccccc1)OCc1ccccc1
Isomeric Smiles
O1C(C1c1ccccc1)C(=O)c1cc(ccc1OCc1ccccc1)OC
Calculated Properties
JChem
Acid pKa
15.18696
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.590574
LogD (pH = 7.4)
4.590574
Log P
4.590574
Molar Refractivity
102.5123
Polarizability
40.08426
Polar Surface Area
48.06
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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