Molecule

ID:114416

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h1-7H,(H,11,14)
InChIKey
QYPFXMAXNRIBCK-UHFFFAOYSA-N
Canonic Smiles
O=c1cc[nH]c(=O)n1c1ccccc1
Isomeric Smiles
n1(c(=O)[nH]ccc1=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.260131
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0263357
LogD (pH = 7.4)
1.0257515
Log P
1.0263435
Molar Refractivity
50.6436
Polarizability
19.135727
Polar Surface Area
49.41
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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