Molecule

ID:75468

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂NO₂
Molecular Mass
280.90152
Exact Mass
278.85305234
Charge
0
InChI
InChI=1S/C6H3Br2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey
ZWBHGBWABMAWOV-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(c1)Br)[N+](=O)[O-]
Isomeric Smiles
Brc1cc(cc(c1)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4507353
LogD (pH = 7.4)
3.4507353
Log P
3.4507353
Molar Refractivity
47.6241
Polarizability
18.353292
Polar Surface Area
43.14
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
No Data Available
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Molecule Details
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References
Bioactivity
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