Molecule

ID:65082

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁BrN₂
Molecular Mass
215.09034
Exact Mass
214.01056036
Charge
0
InChI
InChI=1S/C8H11BrN2/c9-7-6-10-8-4-2-1-3-5-11(7)8/h6H,1-5H2
InChIKey
UWZONBZFTQTRBD-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2n1CCCCC2
Isomeric Smiles
C1Cc2n(CCC1)c(cn2)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.201198
LogD (pH = 7.4)
1.7662187
Log P
1.786765
Molar Refractivity
47.8523
Polarizability
18.351374
Polar Surface Area
17.82
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
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References
Bioactivity
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