Molecule

ID:82469

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₃
Molecular Mass
221.21264
Exact Mass
221.08004123
Charge
0
InChI
InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-6(2)12-13(8)9(7)14/h4-5,11H,3H2,1-2H3
InChIKey
WXRXRSKNZBVDDJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c[nH]c2n(c1=O)nc(c2)C
Isomeric Smiles
n12c(=O)c(c[nH]c1cc(n2)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.030748
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.56020296
LogD (pH = 7.4)
0.55925065
Log P
0.5602151
Molar Refractivity
57.0104
Polarizability
21.02747
Polar Surface Area
73.22
Rotatable Bonds
3
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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