Molecule

ID:120309

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O₄
Molecular Mass
353.37186
Exact Mass
353.1375561
Charge
0
InChI
InChI=1S/C19H19N3O4/c23-17-7-3-6-16-13-8-12(10-22(16)17)9-21(11-13)19(26)20-15-5-2-1-4-14(15)18(24)25/h1-7,12-13H,8-11H2,(H,20,26)(H,24,25)
InChIKey
KBEFEQMDJBJJLL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccccc1C(=O)O
Isomeric Smiles
n12c([C@@H]3CN(C(=O)Nc4c(C(=O)O)cccc4)C[C@H](C2)C3)cccc1=O
Calculated Properties
JChem
Acid pKa
3.5305858
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.41688472
LogD (pH = 7.4)
-1.8206549
Log P
1.5453706
Molar Refractivity
98.8822
Polarizability
35.673454
Polar Surface Area
89.95
Rotatable Bonds
2
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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