Molecule

ID:42310

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂
Molecular Mass
142.15734
Exact Mass
142.0530982
Charge
0
InChI
InChI=1S/C9H6N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,1H3
InChIKey
SVQCNROYIFLAMR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1C)C#N
Isomeric Smiles
c1cc(c(c(c1)C#N)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1988597
LogD (pH = 7.4)
2.1988597
Log P
2.1988597
Molar Refractivity
42.5424
Polarizability
15.755339
Polar Surface Area
47.58
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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