Molecule

ID:36329

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₄
Molecular Mass
342.38898
Exact Mass
342.15795719
Charge
0
InChI
InChI=1S/C19H22N2O4/c1-25-17-10-6-5-7-15(17)11-12-20-18(22)13-21(14-19(23)24)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,20,22)(H,23,24)
InChIKey
ZYUCQCQYYOIREL-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CCNC(=O)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
N(CC(=O)NCCc1c(OC)cccc1)(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.1030293
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.8986005
LogD (pH = 7.4)
-0.7875797
Log P
2.3094528
Molar Refractivity
95.2055
Polarizability
36.356396
Polar Surface Area
78.87
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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