Molecule

ID:53173

General Information
Structure
MolImage
Molecular Formula
C₉H₅N₃
Molecular Mass
155.1561
Exact Mass
155.04834718
Charge
0
InChI
InChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H
InChIKey
IVYZWJPQNNZOHV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2c(n1)cccc2
Isomeric Smiles
c1ccc2c(c1)ncc(n2)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5410249
LogD (pH = 7.4)
1.5410249
Log P
1.5410249
Molar Refractivity
42.8
Polarizability
17.919163
Polar Surface Area
49.57
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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