Molecule

ID:90038

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrNO₂S
Molecular Mass
276.1502
Exact Mass
274.96156157
Charge
0
InChI
InChI=1S/C9H10BrNO2S/c10-8-2-4-9(5-3-8)14(12,13)11-6-1-7-11/h2-5H,1,6-7H2
InChIKey
MDIDQNAFUFFXTB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)S(=O)(=O)N1CCC1
Isomeric Smiles
Brc1ccc(cc1)S(=O)(=O)N1CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6838162
LogD (pH = 7.4)
1.6838162
Log P
1.6838162
Molar Refractivity
58.5285
Polarizability
23.300184
Polar Surface Area
37.38
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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