Molecule

ID:66549

General Information
Structure
Molecular Formula
C₄H₂Br₂N₂
Molecular Mass
237.88008
Exact Mass
235.85847207
Charge
0
InChI
InChI=1S/C4H2Br2N2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
XAHITOJPIWZJHD-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(cn1)Br
Isomeric Smiles
c1(ncc(cn1)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8770912
LogD (pH = 7.4)
1.8770912
Log P
1.8770912
Molar Refractivity
38.4426
Polarizability
14.803918
Polar Surface Area
25.78
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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