Molecule

ID:57551

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₄
Molecular Mass
132.12276
Exact Mass
132.04359615
Charge
0
InChI
InChI=1S/C6H4N4/c1-10-4-9-5(2-7)6(10)3-8/h4H,1H3
InChIKey
SUOVGHDPXJUFME-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C#N)ncn1C
Isomeric Smiles
n1c(c(n(c1)C)C#N)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.09649559
LogD (pH = 7.4)
0.09649568
Log P
0.09649569
Molar Refractivity
34.8582
Polarizability
12.617883
Polar Surface Area
65.4
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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