Molecule

ID:64569

General Information
Structure
MolImage
Molecular Formula
C₉H₆BrN
Molecular Mass
208.05464
Exact Mass
206.9683612
Charge
0
InChI
InChI=1S/C9H6BrN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
InChIKey
ZWJYXJDEDLXUHU-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc2c(c1)cccc2
Isomeric Smiles
n1c(cc2c(c1)cccc2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.71927
LogD (pH = 7.4)
2.719324
Log P
2.7193248
Molar Refractivity
48.8163
Polarizability
19.661007
Polar Surface Area
12.89
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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