Molecule

ID:125043

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀Br₂N₄
Molecular Mass
285.9677
Exact Mass
283.92722034
Charge
0
InChI
InChI=1S/C5H9BrN4.BrH/c1-9(2)5-7-4(6)8-10(5)3;/h1-3H3;1H
InChIKey
OMMDVNQWHDVQNI-UHFFFAOYSA-N
Canonic Smiles
CN(c1nc(nn1C)Br)C.Br
Isomeric Smiles
c1(nc(nn1C)Br)N(C)C.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5654775
LogD (pH = 7.4)
1.5654832
Log P
1.5654832
Molar Refractivity
56.1349
Polarizability
15.95547
Polar Surface Area
33.95
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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