Molecule

ID:45312

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₄S
Molecular Mass
230.28076
Exact Mass
230.06127993
Charge
0
InChI
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
Canonic Smiles
COCCOS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9985591
LogD (pH = 7.4)
1.9985591
Log P
1.9985591
Molar Refractivity
57.2475
Polarizability
23.171417
Polar Surface Area
52.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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