Molecule

ID:80261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Br₂N₂
Molecular Mass
325.98674
Exact Mass
323.8897722
Charge
0
InChI
InChI=1S/C11H6Br2N2/c12-8-1-6(3-14)10-5-11(8,10)7(4-15)2-9(10)13/h1-2,8-9H,5H2
InChIKey
UIZAZOJTTAAYEA-UHFFFAOYSA-N
Canonic Smiles
BrC1C=C(C23C1(C2)C(=CC3Br)C#N)C#N
Isomeric Smiles
N#CC1=CC(C23C1(C2)C(C=C3C#N)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9953865
LogD (pH = 7.4)
1.9953865
Log P
1.9953865
Molar Refractivity
64.4302
Polarizability
23.751429
Polar Surface Area
47.58
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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