Molecule

ID:34840

General Information
Structure
Molecular Formula
C₅H₃N₃
Molecular Mass
105.09742
Exact Mass
105.03269711
Charge
0
InChI
InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKey
IIHQNAXFIODVDU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncccn1
Isomeric Smiles
N#Cc1ncccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.59472114
LogD (pH = 7.4)
0.5947212
Log P
0.5947212
Molar Refractivity
28.1048
Polarizability
10.393637
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
References
Bioactivity
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