Molecule

ID:76400

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁Br₂N₃
Molecular Mass
272.96894
Exact Mass
270.93197137
Charge
0
InChI
InChI=1S/C5H9N3.2BrH/c6-1-3-8-4-2-7-5-8;;/h2,4-5H,1,3,6H2;2*1H
InChIKey
LKAPRYKSXJTJEZ-UHFFFAOYSA-N
Canonic Smiles
NCCn1cncc1.Br.Br
Isomeric Smiles
Br.Br.n1cn(cc1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.25303
LogD (pH = 7.4)
-3.0010245
Log P
-0.71853197
Molar Refractivity
31.8593
Polarizability
12.268504
Polar Surface Area
43.84
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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