Molecule

ID:80439

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₅
Molecular Mass
328.3591
Exact Mass
328.13107374
Charge
0
InChI
InChI=1S/C19H20O5/c1-21-15-8-6-14(7-9-15)16(20)10-5-13-11-17(22-2)19(24-4)18(12-13)23-3/h5-12H,1-4H3
InChIKey
XJYIPYGBDWACTE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
O=C(c1ccc(cc1)OC)/C=C/c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
Acid pKa
16.985903
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.2596402
LogD (pH = 7.4)
3.2596402
Log P
3.2596402
Molar Refractivity
92.7298
Polarizability
35.40251
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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