Molecule

ID:59569

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₃
Molecular Mass
219.19676
Exact Mass
219.06439116
Charge
0
InChI
InChI=1S/C10H9N3O3/c1-16-9(14)6-13-10(15)7-4-2-3-5-8(7)11-12-13/h2-5H,6H2,1H3
InChIKey
AUTYUOCIJUZEBP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1nnc2c(c1=O)cccc2
Isomeric Smiles
n1(nnc2c(c1=O)cccc2)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6365377
LogD (pH = 7.4)
1.6365377
Log P
1.6365377
Molar Refractivity
58.9315
Polarizability
20.491562
Polar Surface Area
71.33
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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