Molecule

ID:22147

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O₅
Molecular Mass
321.32846
Exact Mass
321.13247072
Charge
0
InChI
InChI=1S/C15H19N3O5/c1-2-23-15(20)11-3-4-12(13(9-11)18(21)22)17-7-5-10(6-8-17)14(16)19/h3-4,9-10H,2,5-8H2,1H3,(H2,16,19)
InChIKey
ADEPOMVYKKOHQI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C(=O)N
Isomeric Smiles
c1(ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C(=O)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
15.2278805
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.647725
LogD (pH = 7.4)
1.6477268
Log P
1.6477268
Molar Refractivity
84.7893
Polarizability
31.227493
Polar Surface Area
118.45
Rotatable Bonds
6
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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