Molecule

ID:53148

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrN₂
Molecular Mass
173.0106
Exact Mass
171.96361017
Charge
0
InChI
InChI=1S/C5H5BrN2/c1-4-5(6)2-7-3-8-4/h2-3H,1H3
InChIKey
ALRPHTZYJPXPGN-UHFFFAOYSA-N
Canonic Smiles
Brc1cncnc1C
Isomeric Smiles
n1cncc(c1C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.94978994
LogD (pH = 7.4)
0.9498574
Log P
0.94985825
Molar Refractivity
34.9366
Polarizability
13.235372
Polar Surface Area
25.78
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
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Molecule Details
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References
Bioactivity
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