Molecule

ID:87797

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrNO₂S
Molecular Mass
286.14502
Exact Mass
284.9459115
Charge
0
InChI
InChI=1S/C10H8BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
InChIKey
WTLWGWZWPABAIF-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)S(=O)(=O)n1cccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Br)n1cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7512565
LogD (pH = 7.4)
2.7512565
Log P
2.7512565
Molar Refractivity
61.4599
Polarizability
24.602316
Polar Surface Area
39.07
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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