Molecule

ID:63157

General Information
Structure
MolImage
Molecular Formula
C₈H₅N₃
Molecular Mass
143.1454
Exact Mass
143.04834718
Charge
0
InChI
InChI=1S/C8H5N3/c9-4-6-1-2-7-5-10-11-8(7)3-6/h1-3,5H,(H,10,11)
InChIKey
QVGRVWCYOJDNQK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)[nH]nc2
Isomeric Smiles
n1[nH]c2cc(C#N)ccc2c1
Calculated Properties
JChem
Acid pKa
10.186018
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1523778
LogD (pH = 7.4)
1.1517107
Log P
1.1524038
Molar Refractivity
41.7947
Polarizability
16.490068
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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