Molecule

ID:87259

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrN₂
Molecular Mass
209.0427
Exact Mass
207.96361017
Charge
0
InChI
InChI=1S/C8H5BrN2/c9-7-5-10-4-6-2-1-3-11-8(6)7/h1-5H
InChIKey
PQBNZTONCGWKCZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc2c1nccc2
Isomeric Smiles
n1cc2cccnc2c(c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6810306
LogD (pH = 7.4)
1.6819687
Log P
1.6819807
Molar Refractivity
45.4452
Polarizability
18.766874
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
No Data Available
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Molecule Details
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References
Bioactivity
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