Molecule

ID:63086

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrN₂
Molecular Mass
209.0427
Exact Mass
207.96361017
Charge
0
InChI
InChI=1S/C8H5BrN2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H
InChIKey
KMVULHBAEVRKCP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)ncnc2
Isomeric Smiles
c12cc(Br)ccc1cncn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1937113
LogD (pH = 7.4)
2.1938138
Log P
2.1938152
Molar Refractivity
46.4233
Polarizability
18.762974
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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