Molecule

ID:80517

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂BrNO₂S
Molecular Mass
350.23028
Exact Mass
348.97721163
Charge
0
InChI
InChI=1S/C15H12BrNO2S/c16-11-13-10-12-6-4-5-9-15(12)17(13)20(18,19)14-7-2-1-3-8-14/h1-10H,11H2
InChIKey
SYYPBRKVYRCLJS-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
Isomeric Smiles
S(=O)(=O)(n1c(cc2ccccc12)CBr)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6941204
LogD (pH = 7.4)
3.6941204
Log P
3.6941204
Molar Refractivity
82.8927
Polarizability
33.684353
Polar Surface Area
39.07
Rotatable Bonds
2
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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