Molecule

ID:89033

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂N₂O₂
Molecular Mass
281.88958
Exact Mass
279.84830131
Charge
0
InChI
InChI=1S/C5H2Br2N2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H
InChIKey
VHJGZEKSOAMLMD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Br)cncc1Br
Isomeric Smiles
n1cc(c(c(c1)Br)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2330627
LogD (pH = 7.4)
2.2330627
Log P
2.2330627
Molar Refractivity
46.4714
Polarizability
17.64636
Polar Surface Area
58.71
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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