Molecule

ID:112587

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c11-10-8-4-2-1-3-7(8)5-6-9(10)12(13)14/h1-6H,11H2
InChIKey
SMAJHKXZBICXLS-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1N)cccc2
Isomeric Smiles
Nc1c2ccccc2ccc1[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
14.688705
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7237802
LogD (pH = 7.4)
2.7237809
Log P
2.7237809
Molar Refractivity
54.5333
Polarizability
20.830713
Polar Surface Area
71.84
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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