Molecule

ID:67192

General Information
Structure
MolImage
Molecular Formula
C₅H₃N₃
Molecular Mass
105.09742
Exact Mass
105.03269711
Charge
0
InChI
InChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H
InChIKey
ZIEWSZYVEDTXGH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccncn1
Isomeric Smiles
c1nc(ccn1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.29168198
LogD (pH = 7.4)
0.29168198
Log P
0.29168198
Molar Refractivity
28.0719
Polarizability
10.387936
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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