Molecule

ID:68244

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClN₂O₂
Molecular Mass
237.43858
Exact Mass
235.89881699
Charge
0
InChI
InChI=1S/C5H2BrClN2O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H
InChIKey
WISCKHBEOBONJA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(nc1Br)Cl
Isomeric Smiles
c1(c(ccc(n1)Cl)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.494054
LogD (pH = 7.4)
2.494054
Log P
2.494054
Molar Refractivity
44.5527
Polarizability
16.549911
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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