Molecule

ID:66872

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂
Molecular Mass
154.16804
Exact Mass
154.0530982
Charge
0
InChI
InChI=1S/C10H6N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H
InChIKey
NPDZTCFGRSYTPF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cncc2c1cccc2
Isomeric Smiles
c1ncc(c2ccccc12)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6010902
LogD (pH = 7.4)
1.6011456
Log P
1.6011463
Molar Refractivity
46.0729
Polarizability
18.843723
Polar Surface Area
36.68
Rotatable Bonds
0
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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