Molecule

ID:36295

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₄
Molecular Mass
346.42074
Exact Mass
346.18925732
Charge
0
InChI
InChI=1S/C19H26N2O4/c1-25-17-9-7-16(8-10-17)21(14-19(23)24)13-18(22)20-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-14H2,1H3,(H,20,22)(H,23,24)
InChIKey
FQFPUHLFDDIRQB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCCC1=CCCCC1
Isomeric Smiles
N(CC(=O)NCCC1=CCCCC1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.9974449
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.85970217
LogD (pH = 7.4)
-0.7888965
Log P
2.371637
Molar Refractivity
97.1109
Polarizability
36.84711
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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