Molecule

ID:76478

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂
Molecular Mass
208.25848
Exact Mass
208.10004839
Charge
0
InChI
InChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
InChIKey
WAUKJWLKPXRNKT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C#Cc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)C#Cc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.402137
LogD (pH = 7.4)
2.4360201
Log P
2.4364634
Molar Refractivity
63.2954
Polarizability
24.80981
Polar Surface Area
52.04
Rotatable Bonds
2
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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