Molecule

ID:109242

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
InChIKey
RUKISNQKOIKZGT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1Nc1ccccc1
Isomeric Smiles
[O-][N+](=O)c1ccccc1Nc1ccccc1
Calculated Properties
JChem
Acid pKa
16.1776
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.653156
LogD (pH = 7.4)
4.653156
Log P
4.653156
Molar Refractivity
60.8647
Polarizability
22.915676
Polar Surface Area
55.17
Rotatable Bonds
3
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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