Molecule

ID:63905

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrN₂
Molecular Mass
211.05858
Exact Mass
209.97926023
Charge
0
InChI
InChI=1S/C8H7BrN2/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,1H3
InChIKey
BLPMWJDXOIVLQZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc2n1c(Br)ccc2
Isomeric Smiles
n12c(ncc2C)cccc1Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.48809928
LogD (pH = 7.4)
1.3060813
Log P
1.4282188
Molar Refractivity
48.4909
Polarizability
17.902723
Polar Surface Area
17.3
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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