Molecule

ID:8798

General Information
Structure
Molecular Formula
C₁₄H₁₂N₂
Molecular Mass
208.25848
Exact Mass
208.10004839
Charge
0
InChI
InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+
InChIKey
CWLGEPSKQDNHIO-JOBJLJCHSA-N
Canonic Smiles
c1ccc(cc1)/C=N/N=C/c1ccccc1
Isomeric Smiles
N(=C\c1ccccc1)/N=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4402583
LogD (pH = 7.4)
3.4402583
Log P
3.4402583
Molar Refractivity
67.7982
Polarizability
25.091228
Polar Surface Area
24.72
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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