Molecule

ID:36286

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₅
Molecular Mass
358.38838
Exact Mass
358.15287181
Charge
0
InChI
InChI=1S/C19H22N2O5/c1-25-16-9-7-15(8-10-16)21(13-19(23)24)12-18(22)20-11-14-5-3-4-6-17(14)26-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,23,24)
InChIKey
FCFQWPWYCWNWAA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCc1ccccc1OC
Isomeric Smiles
N(CC(=O)NCc1c(OC)cccc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.7565732
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.118972994
LogD (pH = 7.4)
-1.4186684
Log P
1.8631203
Molar Refractivity
96.9137
Polarizability
37.05052
Polar Surface Area
88.1
Rotatable Bonds
9
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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