Molecule

ID:86195

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrCl₂OS
Molecular Mass
273.96242
Exact Mass
271.84650308
Charge
0
InChI
InChI=1S/C6H3BrCl2OS/c7-3-1-5(4(10)2-8)11-6(3)9/h1H,2H2
InChIKey
INXFNQPLTWTZSX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(c(s1)Cl)Br
Isomeric Smiles
s1c(cc(c1Cl)Br)C(=O)CCl
Calculated Properties
JChem
Acid pKa
14.036323
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5199118
LogD (pH = 7.4)
3.5199118
Log P
3.5199118
Molar Refractivity
49.6914
Polarizability
19.74432
Polar Surface Area
17.07
Rotatable Bonds
2
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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