Molecule

ID:42513

General Information
Structure
MolImage
Molecular Formula
C₈H₅N₃
Molecular Mass
143.1454
Exact Mass
143.04834718
Charge
0
InChI
InChI=1S/C8H5N3/c9-5-7-1-2-8-10-3-4-11(8)6-7/h1-4,6H
InChIKey
LRJOKNYELSECDZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2n(c1)ccn2
Isomeric Smiles
n12c(ncc2)ccc(c1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.1010475
LogD (pH = 7.4)
0.5798951
Log P
0.6156456
Molar Refractivity
41.658
Polarizability
15.11602
Polar Surface Area
41.09
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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