Molecule

ID:87260

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrN₂
Molecular Mass
209.0427
Exact Mass
207.96361017
Charge
0
InChI
InChI=1S/C8H5BrN2/c9-8-2-1-6-5-10-4-3-7(6)11-8/h1-5H
InChIKey
GGZVAKCVQZKTOY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(n1)ccnc2
Isomeric Smiles
n1c2c(ccc1Br)cncc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8689581
LogD (pH = 7.4)
1.8872631
Log P
1.8875027
Molar Refractivity
46.2874
Polarizability
18.80921
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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