Molecule

ID:52679

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂N₂O₂
Molecular Mass
281.88958
Exact Mass
279.84830131
Charge
0
InChI
InChI=1S/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
InChIKey
XIPATZUHJFQGQC-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(n1)Br)[N+](=O)[O-]
Isomeric Smiles
c1c(nc(cc1[N+](=O)[O-])Br)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6441069
LogD (pH = 7.4)
2.6441069
Log P
2.6441069
Molar Refractivity
47.1516
Polarizability
17.721743
Polar Surface Area
56.03
Rotatable Bonds
1
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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