Molecule

ID:65768

General Information
Structure
MolImage
Molecular Formula
C₃H₄BrN₃
Molecular Mass
161.98796
Exact Mass
160.95885914
Charge
0
InChI
InChI=1S/C3H4BrN3/c4-2-1-3(5)7-6-2/h1H,(H3,5,6,7)
InChIKey
VGBYIGUWAWHQOT-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c(c1)Br
Isomeric Smiles
[nH]1nc(cc1Br)N
Calculated Properties
JChem
Acid pKa
13.385041
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.51188797
LogD (pH = 7.4)
0.5120668
Log P
0.5120695
Molar Refractivity
32.1641
Polarizability
11.388151
Polar Surface Area
54.7
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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