Molecule

ID:59407

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-12-8-5-3-2-4-7(8)9(10(12)14)11-6-13/h2-5,9H,1H3
InChIKey
UDMAMIFQOVMUIV-UHFFFAOYSA-N
Canonic Smiles
O=C=NC1c2ccccc2N(C1=O)C
Isomeric Smiles
N1(C(=O)C(c2c1cccc2)N=C=O)C
Calculated Properties
JChem
Acid pKa
11.782899
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6969151
LogD (pH = 7.4)
0.6968974
Log P
0.6969153
Molar Refractivity
49.1159
Polarizability
18.676119
Polar Surface Area
49.74
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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