Molecule

ID:75552

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrNO₂S
Molecular Mass
264.1395
Exact Mass
262.96156157
Charge
0
InChI
InChI=1S/C8H10BrNO2S/c1-6-3-4-7(5-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKey
JZHJHHUAXBVHSH-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccc(c(c1)Br)C
Isomeric Smiles
Brc1c(ccc(c1)S(=O)(=O)NC)C
Calculated Properties
JChem
Acid pKa
9.7696495
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.085106
LogD (pH = 7.4)
2.083488
Log P
2.0851266
Molar Refractivity
55.7766
Polarizability
22.118847
Polar Surface Area
46.17
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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