Molecule

ID:51263

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₃S
Molecular Mass
179.23732
Exact Mass
179.06161428
Charge
0
InChI
InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
ZRWNGUJVDUBGFQ-UHFFFAOYSA-N
Canonic Smiles
OC1CCCN(C1)S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1CC(O)CCC1)C
Calculated Properties
JChem
Acid pKa
14.83626
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3124349
LogD (pH = 7.4)
-1.3124349
Log P
-1.3124349
Molar Refractivity
41.3638
Polarizability
17.082563
Polar Surface Area
57.61
Rotatable Bonds
0
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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