Molecule

ID:23829

General Information
Structure
MolImage
Molecular Formula
C₈H₅N₃
Molecular Mass
143.1454
Exact Mass
143.04834718
Charge
0
InChI
InChI=1S/C8H5N3/c9-5-6-1-3-10-8-7(6)2-4-11-8/h1-4H,(H,10,11)
InChIKey
HAROKQXDLYCEQV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccnc2c1cc[nH]2
Isomeric Smiles
c1cnc2c(c1C#N)cc[nH]2
Calculated Properties
JChem
Acid pKa
14.455313
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0778918
LogD (pH = 7.4)
1.0778936
Log P
1.0778936
Molar Refractivity
40.6618
Polarizability
15.814879
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
No Data Available
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Molecule Details
References
Bioactivity
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