Molecule

ID:69143

General Information
Structure
MolImage
Molecular Formula
C₄H₃BrN₂
Molecular Mass
158.98402
Exact Mass
157.94796011
Charge
0
InChI
InChI=1S/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKey
ILYSUJOMLYXAOC-UHFFFAOYSA-N
Canonic Smiles
Brc1cccnn1
Isomeric Smiles
c1(cccnn1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.75007236
LogD (pH = 7.4)
0.750078
Log P
0.7500781
Molar Refractivity
32.2294
Polarizability
11.566465
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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