Molecule

ID:89646

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClOS
Molecular Mass
225.49078
Exact Mass
223.86982536
Charge
0
InChI
InChI=1S/C5H2BrClOS/c6-4-3(5(7)8)1-2-9-4/h1-2H
InChIKey
UIKWDIMOQHGQHM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccsc1Br
Isomeric Smiles
s1c(c(cc1)C(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.879349
LogD (pH = 7.4)
2.879349
Log P
2.879349
Molar Refractivity
41.0612
Polarizability
15.955921
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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