Molecule

ID:61506

General Information
Structure
MolImage
Molecular Formula
C₈H₅N₃
Molecular Mass
143.1454
Exact Mass
143.04834718
Charge
0
InChI
InChI=1S/C8H5N3/c9-5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H
InChIKey
DREUPRFRJOSEAM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2n1cccc2
Isomeric Smiles
n12c(cnc1cccc2)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.51715124
LogD (pH = 7.4)
0.53540796
Log P
0.53564674
Molar Refractivity
41.5355
Polarizability
15.119986
Polar Surface Area
41.09
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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