Molecule

ID:55348

General Information
Structure
Molecular Formula
C₆H₁₀Br₂N₂
Molecular Mass
269.965
Exact Mass
267.92107233
Charge
0
InChI
InChI=1S/C6H9BrN2.BrH/c1-6-8-3-5-9(6)4-2-7;/h3,5H,2,4H2,1H3;1H
InChIKey
IFEOSQZAGJFBDF-UHFFFAOYSA-N
Canonic Smiles
Cc1nccn1CCBr.Br
Isomeric Smiles
c1n(c(nc1)C)CCBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.039364718
LogD (pH = 7.4)
0.8088028
Log P
1.0515018
Molar Refractivity
40.677
Polarizability
15.297956
Polar Surface Area
17.82
Rotatable Bonds
2
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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