Molecule

ID:22276

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrClNO₂S
Molecular Mass
270.5314
Exact Mass
268.89128909
Charge
0
InChI
InChI=1S/C6H5BrClNO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey
BFZLQNCZBMUSRS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Cl)S(=O)(=O)N
Isomeric Smiles
c1c(cc(c(c1)S(=O)(=O)N)Cl)Br
Calculated Properties
JChem
Acid pKa
8.583525
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9517566
LogD (pH = 7.4)
1.9277397
Log P
1.9520739
Molar Refractivity
50.6435
Polarizability
20.603296
Polar Surface Area
60.16
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
References
Bioactivity
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