Molecule

ID:43922

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₅
Molecular Mass
328.3591
Exact Mass
328.13107374
Charge
0
InChI
InChI=1S/C19H20O5/c1-14(20)16-5-3-6-18(13-16)24-12-4-11-23-17-9-7-15(8-10-17)19(21)22-2/h3,5-10,13H,4,11-12H2,1-2H3
InChIKey
ZYRSUURBPBOTNG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)OCCCOc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCCOc1cc(C(=O)C)ccc1)OC
Calculated Properties
JChem
Acid pKa
15.953495
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0807083
LogD (pH = 7.4)
3.0807083
Log P
3.0807083
Molar Refractivity
90.3669
Polarizability
34.958393
Polar Surface Area
61.83
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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