Molecule

ID:77823

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃S
Molecular Mass
177.22144
Exact Mass
177.04596422
Charge
0
InChI
InChI=1S/C6H11NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H2,1H3
InChIKey
RTBFRGCFXZNCOE-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
N1(S(=O)(=O)C)CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
18.521893
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.1049341
LogD (pH = 7.4)
-1.1049341
Log P
-1.1049341
Molar Refractivity
40.3357
Polarizability
16.548018
Polar Surface Area
54.45
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
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Molecule Details
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References
Bioactivity
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