Molecule

ID:41248

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BrNO₄S
Molecular Mass
344.1811
Exact Mass
342.95139081
Charge
0
InChI
InChI=1S/C12H10BrNO4S/c1-18-12(15)11-7-9(13)8-14(11)19(16,17)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
FTEKRUXLRHKSIK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cn1S(=O)(=O)c1ccccc1)Br
Isomeric Smiles
n1(S(=O)(=O)c2ccccc2)c(cc(c1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6747346
LogD (pH = 7.4)
2.6747346
Log P
2.6747346
Molar Refractivity
73.3627
Polarizability
29.142502
Polar Surface Area
65.37
Rotatable Bonds
3
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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