Molecule

ID:66569

General Information
Structure
Molecular Formula
C₁₀H₆N₂
Molecular Mass
154.16804
Exact Mass
154.0530982
Charge
0
InChI
InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H
InChIKey
XVJDHUCBVHTPGE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1ccnc2
Isomeric Smiles
c1nccc2c(cccc12)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5822722
LogD (pH = 7.4)
1.6009023
Log P
1.6011463
Molar Refractivity
46.0729
Polarizability
18.84212
Polar Surface Area
36.68
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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