Molecule

ID:39500

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₂O₄
Molecular Mass
352.3838
Exact Mass
352.14230713
Charge
0
InChI
InChI=1S/C20H20N2O4/c23-19(24)18-11-22(10-9-21-18)20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,21H,9-12H2,(H,23,24)
InChIKey
MVXOLCRCKMWZCB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NCCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1CN(CC(N1)C(=O)O)C(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
1.5332189
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.081317745
LogD (pH = 7.4)
-0.20113157
Log P
-0.08016066
Molar Refractivity
95.4806
Polarizability
38.47532
Polar Surface Area
78.87
Rotatable Bonds
4
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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