Molecule

ID:117862

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₄S
Molecular Mass
193.22084
Exact Mass
193.04087884
Charge
0
InChI
InChI=1S/C6H11NO4S/c1-2-12(10,11)7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
GSAXUQYIQDBQMC-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CC(C1)C(=O)O
Isomeric Smiles
S(=O)(=O)(N1CC(C1)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.6522973
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9279943
LogD (pH = 7.4)
-4.4071784
Log P
-1.083112
Molar Refractivity
41.6046
Polarizability
17.080664
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
No Data Available
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Molecule Details
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References
Bioactivity
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