Molecule

ID:36333

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₅
Molecular Mass
358.38838
Exact Mass
358.15287181
Charge
0
InChI
InChI=1S/C19H22N2O5/c1-25-16-10-6-7-14(19(16)26-2)11-20-17(22)12-21(13-18(23)24)15-8-4-3-5-9-15/h3-10H,11-13H2,1-2H3,(H,20,22)(H,23,24)
InChIKey
LHJXSHJPAPMUSA-UHFFFAOYSA-N
Canonic Smiles
COc1c(cccc1OC)CNC(=O)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
N(CC(=O)NCc1c(c(OC)ccc1)OC)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.827194
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.18718515
LogD (pH = 7.4)
-1.3865623
Log P
1.8631203
Molar Refractivity
96.9137
Polarizability
37.05325
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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