Molecule

ID:118511

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₄S
Molecular Mass
193.22084
Exact Mass
193.04087884
Charge
0
InChI
InChI=1S/C6H11NO4S/c8-6(9)3-4-7-12(10,11)5-1-2-5/h5,7H,1-4H2,(H,8,9)
InChIKey
AWMOVXRPLCKAOF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNS(=O)(=O)C1CC1
Isomeric Smiles
S(=O)(=O)(C1CC1)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.7196865
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6064217
LogD (pH = 7.4)
-4.1240997
Log P
-0.8266344
Molar Refractivity
41.2064
Polarizability
17.080664
Polar Surface Area
83.47
Rotatable Bonds
4
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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