Molecule

ID:63340

General Information
Structure
MolImage
Molecular Formula
C₈H₅N₃
Molecular Mass
143.1454
Exact Mass
143.04834718
Charge
0
InChI
InChI=1S/C8H5N3/c9-5-7-2-1-6-3-4-10-8(6)11-7/h1-4H,(H,10,11)
InChIKey
GAFBPZMOMITHLG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(n1)[nH]cc2
Isomeric Smiles
c12nc(C#N)ccc1cc[nH]2
Calculated Properties
JChem
Acid pKa
15.37646
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4637396
LogD (pH = 7.4)
1.4637439
Log P
1.4637439
Molar Refractivity
40.2898
Polarizability
15.815079
Polar Surface Area
52.47
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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