Molecule

ID:85220

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂O₅
Molecular Mass
342.38568
Exact Mass
342.1467238
Charge
0
InChI
InChI=1S/C20H22O5/c1-13-10-20(25-5)14(11-19(13)24-4)6-8-17(21)16-12-15(22-2)7-9-18(16)23-3/h6-12H,1-5H3
InChIKey
DHFCLNKMKWPKHT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(=O)/C=C/c1cc(OC)c(cc1OC)C)OC
Isomeric Smiles
O=C(c1c(ccc(c1)OC)OC)/C=C/c1c(cc(c(c1)OC)C)OC
Calculated Properties
JChem
Acid pKa
15.723246
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.7730618
LogD (pH = 7.4)
3.7730618
Log P
3.7730618
Molar Refractivity
97.771
Polarizability
37.166668
Polar Surface Area
53.99
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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