Molecule

ID:14466

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₅S
Molecular Mass
194.2056
Exact Mass
194.02489442
Charge
0
InChI
InChI=1S/C6H10O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey
UXDHDPFGSDSRPS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCS(=O)CCC(=O)O
Isomeric Smiles
S(=O)(CCC(=O)O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.2938275
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-5.3546534
LogD (pH = 7.4)
-8.288547
Log P
-1.6734952
Molar Refractivity
42.2378
Polarizability
16.673899
Polar Surface Area
91.67
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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