Molecule

ID:53852

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₅
Molecular Mass
348.39356
Exact Mass
348.16852188
Charge
0
InChI
InChI=1S/C18H24N2O5/c1-2-24-16(21)12-19-17(22)15-8-10-20(11-9-15)18(23)25-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,19,22)
InChIKey
BZMHSNZGVJAXMI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)C1CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
C1N(CCC(C1)C(=O)NCC(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
12.408596
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2313572
LogD (pH = 7.4)
1.2313536
Log P
1.2313575
Molar Refractivity
91.1986
Polarizability
35.6204
Polar Surface Area
84.94
Rotatable Bonds
8
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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