Molecule

ID:78548

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂Br₂N₄
Molecular Mass
361.97908
Exact Mass
359.86462008
Charge
0
InChI
InChI=1S/C12H2Br2N4/c13-11-1-9(7(3-15)4-16)12(14)2-10(11)8(5-17)6-18/h1-2H
InChIKey
OJFNHXWMRQGERY-UHFFFAOYSA-N
Canonic Smiles
N#CC(=c1cc(Br)c(=C(C#N)C#N)cc1Br)C#N
Isomeric Smiles
N#CC(=c1c(cc(=C(C#N)C#N)c(c1)Br)Br)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5504824
LogD (pH = 7.4)
1.5504824
Log P
1.5504824
Molar Refractivity
76.2568
Polarizability
26.329731
Polar Surface Area
95.16
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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