Molecule

ID:17207

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c11-9-5-7(10(13)14)6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)(H,13,14)
InChIKey
CZCNNACKTTUWQA-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c12c(nc(cc1C(=O)O)N)cccc2
Calculated Properties
JChem
Acid pKa
4.564099
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3217155
LogD (pH = 7.4)
-1.3993387
Log P
1.1409905
Molar Refractivity
52.2494
Polarizability
20.4047
Polar Surface Area
76.21
Rotatable Bonds
1
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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