Molecule

ID:89730

General Information
Structure
Molecular Formula
C₉H₆N₂
Molecular Mass
142.15734
Exact Mass
142.0530982
Charge
0
InChI
InChI=1S/C9H6N2/c1-2-8-4-3-5-9-10-6-7-11(8)9/h1,3-7H
InChIKey
VNHBYKHXBCYPBJ-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cccc2n1ccn2
Isomeric Smiles
n12c(cccc1ncc2)C#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.039200306
LogD (pH = 7.4)
0.77986217
Log P
0.83038586
Molar Refractivity
40.9862
Polarizability
15.866997
Polar Surface Area
17.3
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
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References
Bioactivity
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