Molecule

ID:64333

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrN₂
Molecular Mass
211.05858
Exact Mass
209.97926023
Charge
0
InChI
InChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3
InChIKey
JPFIGGYULRKROG-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1n(C)nc2
Isomeric Smiles
n1n(c2c(c1)cccc2Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1887238
LogD (pH = 7.4)
2.1887362
Log P
2.1887364
Molar Refractivity
58.9119
Polarizability
19.119387
Polar Surface Area
17.82
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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