Molecule

ID:110568

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H,(H2,11,14)
InChIKey
AWMLDBKLOPNOAR-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(=O)c1c[nH]c2c1cccc2
Isomeric Smiles
NC(=O)C(=O)c1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
12.317128
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7823068
LogD (pH = 7.4)
0.78230196
Log P
0.78230685
Molar Refractivity
51.1644
Polarizability
20.47585
Polar Surface Area
75.95
Rotatable Bonds
2
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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