Molecule

ID:75653

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrNO₂S
Molecular Mass
292.19266
Exact Mass
290.99286169
Charge
0
InChI
InChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-7-5-4-6-8(9)11/h4-7,12H,1-3H3
InChIKey
AMQGWGSNHQLIJT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1S(=O)(=O)NC(C)(C)C
Isomeric Smiles
Brc1ccccc1S(=O)(=O)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.13172
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.625575
LogD (pH = 7.4)
2.6186013
Log P
2.625665
Molar Refractivity
64.541
Polarizability
25.81488
Polar Surface Area
46.17
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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