Molecule

ID:86214

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₄S
Molecular Mass
192.23278
Exact Mass
192.04562986
Charge
0
InChI
InChI=1S/C7H12O4S/c1-3-10-6(8)5-12-7(9)11-4-2/h3-5H2,1-2H3
InChIKey
YZAKTJAACUTISQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)SCC(=O)OCC
Isomeric Smiles
S(C(=O)OCC)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3226284
LogD (pH = 7.4)
1.3226284
Log P
1.3226284
Molar Refractivity
45.8306
Polarizability
18.3643
Polar Surface Area
52.6
Rotatable Bonds
7
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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