Molecule

ID:53432

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₅
Molecular Mass
353.36856
Exact Mass
353.12632271
Charge
0
InChI
InChI=1S/C20H19NO5/c22-19(23)18-11-21(9-10-25-18)20(24)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
InChIKey
TUZVFPRISNDQLQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1OCCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
N1(C(=O)OCC2c3c(c4c2cccc4)cccc3)CC(C(=O)O)OCC1
Calculated Properties
JChem
Acid pKa
3.6185296
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.81620514
LogD (pH = 7.4)
-0.64279854
Log P
2.6936848
Molar Refractivity
93.7997
Polarizability
37.64481
Polar Surface Area
76.07
Rotatable Bonds
4
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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