Molecule

ID:83471

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉BrO₃S
Molecular Mass
359.27856
Exact Mass
358.02382747
Charge
0
InChI
InChI=1S/C15H19BrO3S/c1-10-2-4-13(5-3-10)20(17,18)19-15-8-11-6-12(9-16)14(15)7-11/h2-5,11-12,14-15H,6-9H2,1H3
InChIKey
SSOHWXRVPHYKLJ-UHFFFAOYSA-N
Canonic Smiles
BrCC1CC2CC1C(C2)OS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OC1C2C(CBr)CC(C1)C2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.056884
LogD (pH = 7.4)
4.056884
Log P
4.056884
Molar Refractivity
82.27
Polarizability
32.91697
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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