Molecule

ID:24813

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₄S
Molecular Mass
193.22084
Exact Mass
193.04087884
Charge
0
InChI
InChI=1S/C6H11NO4S/c8-6(9)5-7-1-3-12(10,11)4-2-7/h1-5H2,(H,8,9)
InChIKey
CEABBIBOUBCOPV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCS(=O)(=O)CC1
Isomeric Smiles
S1(=O)(=O)CCN(CC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.5439184
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.6484728
LogD (pH = 7.4)
-5.0421653
Log P
-1.6714904
Molar Refractivity
41.6745
Polarizability
17.4344
Polar Surface Area
74.68
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
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Molecule Details
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References
Bioactivity
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