Molecule

ID:64356

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrN₂
Molecular Mass
209.0427
Exact Mass
207.96361017
Charge
0
InChI
InChI=1S/C8H5BrN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
InChIKey
NOYFLUFQGFNMRB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)nccn2
Isomeric Smiles
c12cc(ccc2nccn1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.067817
LogD (pH = 7.4)
2.0678308
Log P
2.067831
Molar Refractivity
45.0732
Polarizability
18.7644
Polar Surface Area
25.78
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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