Molecule

ID:38064

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₄
Molecular Mass
144.13346
Exact Mass
144.04359615
Charge
0
InChI
InChI=1S/C7H4N4/c8-4-6-5-10-11-3-1-2-9-7(6)11/h1-3,5H
InChIKey
RRHORVAOECWFPT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn2c1nccc2
Isomeric Smiles
c12c(cnn1cccn2)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.50906575
LogD (pH = 7.4)
0.5090688
Log P
0.5090688
Molar Refractivity
49.4952
Polarizability
14.241617
Polar Surface Area
53.98
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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