Molecule

ID:67223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂
Molecular Mass
154.16804
Exact Mass
154.0530982
Charge
0
InChI
InChI=1S/C10H6N2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H
InChIKey
NIFLNJLWZZABMI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)cccn2
Isomeric Smiles
n1cccc2cc(ccc12)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9660012
LogD (pH = 7.4)
1.9867253
Log P
1.9869967
Molar Refractivity
45.7009
Polarizability
18.843931
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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