Molecule

ID:72268

General Information
Structure
MolImage
Molecular Formula
C₄H₇Br₂N₃
Molecular Mass
256.92648
Exact Mass
254.90067124
Charge
0
InChI
InChI=1S/C4H6BrN3.BrH/c5-1-2-8-4-6-3-7-8;/h3-4H,1-2H2;1H
InChIKey
ODHCJYKSXJMKAL-UHFFFAOYSA-N
Canonic Smiles
BrCCn1cncn1.Br
Isomeric Smiles
n1cnn(c1)CCBr.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.56433
LogD (pH = 7.4)
0.5645683
Log P
0.5645713
Molar Refractivity
46.4623
Polarizability
12.805661
Polar Surface Area
30.71
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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