Molecule

ID:56645

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClOS
Molecular Mass
225.49078
Exact Mass
223.86982536
Charge
0
InChI
InChI=1S/C5H2BrClOS/c6-4-2-1-3(9-4)5(7)8/h1-2H
InChIKey
ORIONTBOMZNQIE-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(s1)Br
Isomeric Smiles
c1(sc(cc1)Br)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0117884
LogD (pH = 7.4)
3.0117884
Log P
3.0117884
Molar Refractivity
40.8453
Polarizability
15.958281
Polar Surface Area
17.07
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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