Molecule

ID:54677

General Information
Structure
MolImage
Molecular Formula
C₅H₃N₃
Molecular Mass
105.09742
Exact Mass
105.03269711
Charge
0
InChI
InChI=1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H
InChIKey
PJESVVYWPFAJCS-UHFFFAOYSA-N
Canonic Smiles
c1ccnnc1C#N
Isomeric Smiles
c1(cccnn1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.017749928
LogD (pH = 7.4)
0.01774995
Log P
0.017749952
Molar Refractivity
29.114
Polarizability
10.393614
Polar Surface Area
49.57
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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