Molecule

ID:39201

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₅
Molecular Mass
341.35786
Exact Mass
341.12632271
Charge
0
InChI
InChI=1S/C19H19NO5/c1-24-11-17(18(21)22)20-19(23)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKey
YFWAFELGMGZCHL-UHFFFAOYSA-N
Canonic Smiles
COCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C(COC)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.6677198
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.81154513
LogD (pH = 7.4)
-0.6766579
Log P
2.6415336
Molar Refractivity
90.872
Polarizability
36.53065
Polar Surface Area
84.86
Rotatable Bonds
7
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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