Molecule

ID:45315

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₄S
Molecular Mass
292.35014
Exact Mass
292.07692999
Charge
0
InChI
InChI=1S/C15H16O4S/c1-13-7-9-15(10-8-13)20(16,17)19-12-11-18-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey
MSIGTXLXMVOOQD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCCOc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6895843
LogD (pH = 7.4)
3.6895843
Log P
3.6895843
Molar Refractivity
76.7562
Polarizability
30.87408
Polar Surface Area
52.6
Rotatable Bonds
6
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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