Molecule

ID:68609

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClNO₂
Molecular Mass
236.45052
Exact Mass
234.90356802
Charge
0
InChI
InChI=1S/C6H3BrClNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChIKey
CGTVUAQWGSZCFH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)Br)Cl
Isomeric Smiles
c1(cc(c(cc1)Cl)Br)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2860272
LogD (pH = 7.4)
3.2860272
Log P
3.2860272
Molar Refractivity
44.8061
Polarizability
17.20927
Polar Surface Area
43.14
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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