Molecule

ID:133229

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₃O₅
Molecular Mass
269.2539
Exact Mass
269.1011706
Charge
0
InChI
InChI=1S/C11H15N3O5/c1-6(16)18-7-4-10(19-8(7)5-15)14-3-2-9(12)13-11(14)17/h2-3,7-8,10,15H,4-5H2,1H3,(H2,12,13,17)
InChIKey
ATBRMDNADDOXDD-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(CC1OC(=O)C)n1ccc(nc1=O)N
Isomeric Smiles
CC(=O)OC1CC(OC1CO)n1ccc(nc1=O)N
Calculated Properties
JChem
Acid pKa
14.5884905
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.4557563
LogD (pH = 7.4)
-1.4557539
Log P
-1.4557538
Molar Refractivity
62.1856
Polarizability
24.64389
Polar Surface Area
114.45
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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