Molecule

ID:89318

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂
Molecular Mass
142.15734
Exact Mass
142.0530982
Charge
0
InChI
InChI=1S/C9H6N2/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5H2
InChIKey
GKHSEDFDYXZGCG-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccccc1C#N
Isomeric Smiles
N#CCc1c(cccc1)C#N
Calculated Properties
JChem
Acid pKa
12.37951
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5250391
LogD (pH = 7.4)
1.5250347
Log P
1.5250392
Molar Refractivity
42.0665
Polarizability
15.679381
Polar Surface Area
47.58
Rotatable Bonds
1
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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