Molecule

ID:75929

General Information
Structure
MolImage
Molecular Formula
C₃H₂Br₂N₂
Molecular Mass
225.86938
Exact Mass
223.85847207
Charge
0
InChI
InChI=1S/C3H2Br2N2/c4-2-1-6-3(5)7-2/h1H,(H,6,7)
InChIKey
KJBTZMYWBSAZAQ-UHFFFAOYSA-N
Canonic Smiles
Brc1[nH]cc(n1)Br
Isomeric Smiles
n1c([nH]cc1Br)Br
Calculated Properties
JChem
Acid pKa
9.614286
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8924768
LogD (pH = 7.4)
1.890565
Log P
1.8931175
Molar Refractivity
35.1026
Polarizability
13.521103
Polar Surface Area
28.68
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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