Molecule

ID:72157

General Information
Structure
MolImage
Molecular Formula
C₃H₄BrN₃
Molecular Mass
161.98796
Exact Mass
160.95885914
Charge
0
InChI
InChI=1S/C3H4BrN3/c1-7-2-5-3(4)6-7/h2H,1H3
InChIKey
KWGLUDZPAMFWJZ-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc(n1)Br
Isomeric Smiles
n1c(nn(c1)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7731873
LogD (pH = 7.4)
0.77318937
Log P
0.77318937
Molar Refractivity
42.233
Polarizability
11.224457
Polar Surface Area
30.71
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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