Molecule

ID:72176

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₃
Molecular Mass
219.19676
Exact Mass
219.06439116
Charge
0
InChI
InChI=1S/C10H9N3O3/c11-8(12-16)5-13-9(14)6-3-1-2-4-7(6)10(13)15/h1-4,16H,5H2,(H2,11,12)
InChIKey
QIXPXIOYUGOPQZ-UHFFFAOYSA-N
Canonic Smiles
O/N=C(\CN1C(=O)c2c(C1=O)cccc2)/N
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)C/C(=N\O)/N
Calculated Properties
JChem
Acid pKa
9.728821
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.36305553
LogD (pH = 7.4)
-0.34765118
Log P
-0.34521374
Molar Refractivity
56.0621
Polarizability
20.470222
Polar Surface Area
95.99
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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