Molecule

ID:15098

General Information
Structure
Molecular Formula
C₉H₆N₂
Molecular Mass
142.15734
Exact Mass
142.0530982
Charge
0
InChI
InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
InChIKey
SZSZDBFJCQKTRG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)[nH]cc2
Isomeric Smiles
[nH]1ccc2ccc(cc12)C#N
Calculated Properties
JChem
Acid pKa
15.641608
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.928104
LogD (pH = 7.4)
1.928104
Log P
1.928104
Molar Refractivity
42.8661
Polarizability
17.428045
Polar Surface Area
39.58
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
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Molecule Details
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References
Bioactivity
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