Molecule

ID:23599

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₅
Molecular Mass
356.3725
Exact Mass
356.13722175
Charge
0
InChI
InChI=1S/C19H20N2O5/c1-26-12-4-11-20-17(22)13-7-9-14(10-8-13)21-18(23)15-5-2-3-6-16(15)19(24)25/h2-3,5-10H,4,11-12H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
MAAGKEWXPQRFAH-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(C(=O)NCCCOC)cc1
Calculated Properties
JChem
Acid pKa
2.910467
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.73357856
LogD (pH = 7.4)
-1.6743484
Log P
1.8100141
Molar Refractivity
98.7317
Polarizability
36.195694
Polar Surface Area
104.73
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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