Molecule

ID:82230

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₄
Molecular Mass
132.12276
Exact Mass
132.04359615
Charge
0
InChI
InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
InChIKey
BNHGNFYPZNDLAF-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=C(C#N)C#N)N
Isomeric Smiles
N#CC(=C(CC#N)N)C#N
Calculated Properties
JChem
Acid pKa
19.194405
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1696956
LogD (pH = 7.4)
-1.1696956
Log P
-1.1696956
Molar Refractivity
35.7933
Polarizability
12.262109
Polar Surface Area
97.39
Rotatable Bonds
1
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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