Molecule

ID:65477

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂N₂O₂
Molecular Mass
295.91616
Exact Mass
293.86395138
Charge
0
InChI
InChI=1S/C6H4Br2N2O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3
InChIKey
MFWWZPPJIRAWSL-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1C)[N+](=O)[O-])Br
Isomeric Smiles
c1(c(c(c(cn1)Br)C)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9520063
LogD (pH = 7.4)
2.9520063
Log P
2.9520063
Molar Refractivity
52.3548
Polarizability
19.370708
Polar Surface Area
58.71
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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