Molecule

ID:55347

General Information
Structure
MolImage
Molecular Formula
C₅H₈Br₂N₂
Molecular Mass
255.93842
Exact Mass
253.90542227
Charge
0
InChI
InChI=1S/C5H7BrN2.BrH/c6-1-3-8-4-2-7-5-8;/h2,4-5H,1,3H2;1H
InChIKey
MZNYYFODRQQSJI-UHFFFAOYSA-N
Canonic Smiles
BrCCn1cncc1.Br
Isomeric Smiles
c1n(cnc1)CCBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.39630032
LogD (pH = 7.4)
0.8605801
Log P
0.928437
Molar Refractivity
36.2363
Polarizability
13.570582
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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