Molecule

ID:3458

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₄S
Molecular Mass
195.23672
Exact Mass
195.0565289
Charge
0
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChIKey
SXGZJKUKBWWHRA-UHFFFAOYSA-N
Canonic Smiles
[O-]S(=O)(=O)CC[NH+]1CCOCC1
Isomeric Smiles
[O-]S(=O)(=O)CC[NH+]1CCOCC1
Calculated Properties
JChem
LogD (pH = 7.4)
-3.13
LogD (pH = 5.5)
-2.52
Log P
-2.49
Rotatable Bonds
3
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-1.52
Polar Surface Area
70.87
Polarizability
18.66
Molar Refractivity
53.64
LOG S
0.77
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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