Molecule

ID:90028

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂
Molecular Mass
154.16804
Exact Mass
154.0530982
Charge
0
InChI
InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
InChIKey
HJHXYSBRTVFEDD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nccc2c1cccc2
Isomeric Smiles
n1c(c2c(cc1)cccc2)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9869612
LogD (pH = 7.4)
1.9869962
Log P
1.9869967
Molar Refractivity
45.7009
Polarizability
18.848349
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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