Molecule

ID:74756

General Information
Structure
MolImage
Molecular Formula
C₄H₄Br₂N₂
Molecular Mass
239.89596
Exact Mass
237.87412214
Charge
0
InChI
InChI=1S/C4H4Br2N2/c1-2-7-3(5)4(6)8-2/h1H3,(H,7,8)
InChIKey
DBFMQNPRKMLHLK-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c(c(n1)Br)Br
Isomeric Smiles
[nH]1c(c(nc1C)Br)Br
Calculated Properties
JChem
Acid pKa
10.231862
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3900652
LogD (pH = 7.4)
1.4202553
Log P
1.4212233
Molar Refractivity
39.3233
Polarizability
15.15835
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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