Molecule

ID:40062

General Information
Structure
MolImage
Molecular Formula
C₂HBr₂N₃
Molecular Mass
226.85744
Exact Mass
224.85372105
Charge
0
InChI
InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)
InChIKey
FRAKFBWDPXYIQO-UHFFFAOYSA-N
Canonic Smiles
Brc1[nH]nc(n1)Br
Isomeric Smiles
n1c(n[nH]c1Br)Br
Calculated Properties
JChem
Acid pKa
6.2342973
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6420444
LogD (pH = 7.4)
0.6521123
Log P
1.7135804
Molar Refractivity
34.6418
Polarizability
12.877365
Polar Surface Area
41.57
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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