Molecule

ID:73517

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂
Molecular Mass
208.25848
Exact Mass
208.10004839
Charge
0
InChI
InChI=1S/C14H12N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10,14,16H
InChIKey
XOMUKMGWTCEDRE-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccccc1)Nc1ccccc1
Isomeric Smiles
N#CC(c1ccccc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.590301
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9183855
LogD (pH = 7.4)
2.9183853
Log P
2.9183855
Molar Refractivity
65.6736
Polarizability
24.618229
Polar Surface Area
35.82
Rotatable Bonds
3
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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