Molecule

ID:18543

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)
InChIKey
BJPNADFNSANIPF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nc2ccccc2nc1C
Isomeric Smiles
c1(nc2c(nc1C)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.426625
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6089215
LogD (pH = 7.4)
-1.9277233
Log P
1.4738817
Molar Refractivity
48.9261
Polarizability
20.152096
Polar Surface Area
63.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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