Molecule

ID:58392

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂
Molecular Mass
210.27436
Exact Mass
210.11569846
Charge
0
InChI
InChI=1S/C14H14N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,1H3,(H,15,16)
InChIKey
CLWIJUQLAFJNOF-UHFFFAOYSA-N
Canonic Smiles
C/C(=N\c1ccccc1)/Nc1ccccc1
Isomeric Smiles
C/C(=N\c1ccccc1)/Nc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5512475
LogD (pH = 7.4)
2.5336754
Log P
3.2727149
Molar Refractivity
69.6666
Polarizability
25.503025
Polar Surface Area
24.39
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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