Molecule

ID:120162

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O₂
Molecular Mass
191.18666
Exact Mass
191.06947654
Charge
0
InChI
InChI=1S/C9H9N3O2/c1-5-11-8-3-2-6(13)4-7(8)9(14)12(5)10/h2-4,13H,10H2,1H3
InChIKey
WMHGSEBKCDYZBB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(=O)n(c(n2)C)N
Isomeric Smiles
n1(c(=O)c2c(nc1C)ccc(c2)O)N
Calculated Properties
JChem
Acid pKa
8.607405
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.18020816
LogD (pH = 7.4)
0.15817575
Log P
0.1733995
Molar Refractivity
53.8549
Polarizability
18.887066
Polar Surface Area
78.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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