Molecule

ID:74754

General Information
Structure
MolImage
Molecular Formula
C₄H₄Br₂N₂
Molecular Mass
239.89596
Exact Mass
237.87412214
Charge
0
InChI
InChI=1S/C4H4Br2N2/c1-8-3(5)2-7-4(8)6/h2H,1H3
InChIKey
WVCRXJDDBGDCTA-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(n1C)Br
Isomeric Smiles
n1(c(cnc1Br)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6074526
LogD (pH = 7.4)
1.6115743
Log P
1.6116271
Molar Refractivity
38.9391
Polarizability
15.186791
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
References
Bioactivity
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