Molecule

ID:76771

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂
Molecular Mass
154.16804
Exact Mass
154.0530982
Charge
0
InChI
InChI=1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H
InChIKey
WDXARTMCIRVMAE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(n1)cccc2
Isomeric Smiles
n1c2c(ccc1C#N)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3728437
LogD (pH = 7.4)
2.3728468
Log P
2.372847
Molar Refractivity
45.3289
Polarizability
18.851603
Polar Surface Area
36.68
Rotatable Bonds
0
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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