Molecule

ID:8800

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrClO₂S
Molecular Mass
255.51676
Exact Mass
253.88039005
Charge
0
InChI
InChI=1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChIKey
PJGOLCXVWIYXRQ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(Br)ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6883016
LogD (pH = 7.4)
2.6883016
Log P
2.6883016
Molar Refractivity
47.875
Polarizability
19.411573
Polar Surface Area
34.14
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
References
Bioactivity
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