Molecule

ID:87670

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrOS
Molecular Mass
219.09888
Exact Mass
217.94009784
Charge
0
InChI
InChI=1S/C7H7BrOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
MPOPDYTWAYBUOD-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)S(=O)C
Isomeric Smiles
Brc1ccc(cc1)S(=O)C
Calculated Properties
JChem
Acid pKa
19.3665
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4754131
LogD (pH = 7.4)
1.4754131
Log P
1.4754131
Molar Refractivity
48.0424
Polarizability
18.579594
Polar Surface Area
17.07
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
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References
Bioactivity
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