Molecule

ID:106946

General Information
Structure
Molecular Formula
C₁₆H₁₆N₂
Molecular Mass
236.31164
Exact Mass
236.13134852
Charge
0
InChI
InChI=1S/C16H16N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKey
QBAKBJNOARBSGP-UHFFFAOYSA-N
Canonic Smiles
N(=C\c1ccccc1)/CC/N=C/c1ccccc1
Isomeric Smiles
C(C/N=C/c1ccccc1)/N=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8913174
LogD (pH = 7.4)
3.5260558
Log P
3.6726465
Molar Refractivity
77.2226
Polarizability
28.79081
Polar Surface Area
24.72
Rotatable Bonds
5
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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