Molecule

ID:12193

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrN₂
Molecular Mass
173.0106
Exact Mass
171.96361017
Charge
0
InChI
InChI=1S/C5H5BrN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
InChIKey
WGOLHUGPTDEKCF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)Br
Isomeric Smiles
c1c(ncc(c1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1651797
LogD (pH = 7.4)
1.2880232
Log P
1.2898576
Molar Refractivity
36.5378
Polarizability
13.464492
Polar Surface Area
38.91
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
References
Bioactivity
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