Molecule

ID:75918

General Information
Structure
MolImage
Molecular Formula
C₄H₄Br₂N₂
Molecular Mass
239.89596
Exact Mass
237.87412214
Charge
0
InChI
InChI=1S/C4H4Br2N2/c1-8-2-3(5)7-4(8)6/h2H,1H3
InChIKey
LDZBHYJUCHWPIT-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(n(c1)C)Br
Isomeric Smiles
n1c(n(cc1Br)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1163638
LogD (pH = 7.4)
2.1167881
Log P
2.1167936
Molar Refractivity
39.9993
Polarizability
15.19596
Polar Surface Area
17.82
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
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References
Bioactivity
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