Molecule

ID:77700

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄N₄
Molecular Mass
204.18696
Exact Mass
204.04359615
Charge
0
InChI
InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H
InChIKey
PCCVSPMFGIFTHU-UHFFFAOYSA-N
Canonic Smiles
N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N
Isomeric Smiles
N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N
Calculated Properties
JChem
LogD (pH = 7.4)
0.75
LogD (pH = 5.5)
0.75
Log P
0.75
Rotatable Bonds
0
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Polar Surface Area
95.16
Polarizability
19.97
Molar Refractivity
61.19
LOG S
-2.72
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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