Molecule

ID:83136

General Information
Structure
Molecular Formula
C₁₁H₁₄BrNO₃S
Molecular Mass
320.20276
Exact Mass
318.98777631
Charge
0
InChI
InChI=1S/C11H14BrNO3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-9H2
InChIKey
UJQIDMWXPJOIFS-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)S(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCOCC1)c1ccc(cc1)CBr
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5808656
LogD (pH = 7.4)
1.5808656
Log P
1.5808656
Molar Refractivity
69.9342
Polarizability
27.595324
Polar Surface Area
46.61
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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