Molecule

ID:76877

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrN
Molecular Mass
160.01184
Exact Mass
158.9683612
Charge
0
InChI
InChI=1S/C5H5N.BrH/c1-2-4-6-5-3-1;/h1-5H;1H
InChIKey
BBFCIBZLAVOLCF-UHFFFAOYSA-N
Canonic Smiles
c1cccnc1.Br
Isomeric Smiles
n1ccccc1.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6230428
LogD (pH = 7.4)
0.75354445
Log P
0.7555734
Molar Refractivity
23.9011
Polarizability
9.4423685
Polar Surface Area
12.89
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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