Molecule

ID:111157

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H
InChIKey
ZKBDAJDDDOIASC-UHFFFAOYSA-N
Canonic Smiles
OC(C(=O)c1ccccn1)c1ccccn1
Isomeric Smiles
OC(C(=O)c1ccccn1)c1ccccn1
Calculated Properties
JChem
Acid pKa
11.042074
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9478009
LogD (pH = 7.4)
0.98489946
Log P
0.98643047
Molar Refractivity
57.4631
Polarizability
22.481903
Polar Surface Area
63.08
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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