Molecule

ID:85223

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Br₂N₂
Molecular Mass
328.00262
Exact Mass
325.90542227
Charge
0
InChI
InChI=1S/C11H8Br2N2/c12-10-1-6(4-14)8-3-9(10)7(5-15)2-11(8)13/h1-2,8-11H,3H2/t8?,9?,10-,11-/m1/s1
InChIKey
MEAIIRVSQNJTBF-JPPWEJMLSA-N
Canonic Smiles
N#CC1=C[C@@H](Br)C2CC1[C@H](Br)C=C2C#N
Isomeric Smiles
N#CC1=C[C@H](C2C(=C[C@H](C1C2)Br)C#N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.592248
LogD (pH = 7.4)
2.592248
Log P
2.592248
Molar Refractivity
66.6382
Polarizability
24.428226
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
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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