Molecule

ID:54521

General Information
Structure
MolImage
Molecular Formula
C₉H₅N₃
Molecular Mass
155.1561
Exact Mass
155.04834718
Charge
0
InChI
InChI=1S/C9H5N3/c10-5-7-4-9-8(12-6-7)2-1-3-11-9/h1-4,6H
InChIKey
HVWXIFKFFMJTJB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc2c(c1)nccc2
Isomeric Smiles
c1c(cc2c(n1)cccn2)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1551726
LogD (pH = 7.4)
1.1551745
Log P
1.1551746
Molar Refractivity
43.172
Polarizability
17.904505
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation