Molecule

ID:12049

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂
Molecular Mass
142.15734
Exact Mass
142.0530982
Charge
0
InChI
InChI=1S/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H
InChIKey
CEUFGDDOMXCXFW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1cc[nH]2
Isomeric Smiles
N#Cc1cccc2[nH]ccc12
Calculated Properties
JChem
Acid pKa
15.615056
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
17.431162
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
No Data Available
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Molecule Details
References
Bioactivity
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