Molecule

ID:67595

General Information
Structure
MolImage
Molecular Formula
C₄H₂Br₂N₂
Molecular Mass
237.88008
Exact Mass
235.85847207
Charge
0
InChI
InChI=1S/C4H2Br2N2/c5-3-4(6)8-2-1-7-3/h1-2H
InChIKey
VLPBEKHOQWMYTR-UHFFFAOYSA-N
Canonic Smiles
Brc1nccnc1Br
Isomeric Smiles
c1(c(nccn1)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4864502
LogD (pH = 7.4)
1.4864502
Log P
1.4864502
Molar Refractivity
38.6742
Polarizability
14.8045025
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
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References
Bioactivity
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