Molecule

ID:110426

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃S
Molecular Mass
164.22268
Exact Mass
164.05071524
Charge
0
InChI
InChI=1S/C6H12O3S/c1-2-9-6-3-4-10(7,8)5-6/h6H,2-5H2,1H3
InChIKey
RZHPOELDGBAIIT-UHFFFAOYSA-N
Canonic Smiles
CCOC1CCS(=O)(=O)C1
Isomeric Smiles
CCOC1CCS(=O)(=O)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.738559
LogD (pH = 7.4)
-0.738559
Log P
-0.738559
Molar Refractivity
38.3121
Polarizability
15.986933
Polar Surface Area
43.37
Rotatable Bonds
2
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
References
Bioactivity
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