Molecule

ID:45311

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₄S
Molecular Mass
244.30734
Exact Mass
244.07692999
Charge
0
InChI
InChI=1S/C11H16O4S/c1-3-14-8-9-15-16(12,13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey
HXXNTEDKEYTYPD-UHFFFAOYSA-N
Canonic Smiles
CCOCCOS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCCOCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3553672
LogD (pH = 7.4)
2.3553672
Log P
2.3553672
Molar Refractivity
61.9961
Polarizability
25.003464
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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