Molecule

ID:63198

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂S
Molecular Mass
163.23792
Exact Mass
163.06669966
Charge
0
InChI
InChI=1S/C6H13NO2S/c1-10(8,9)6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey
XKWZLZLVNFUCBL-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)C1CCNCC1
Isomeric Smiles
C1CC(CCN1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.440904
LogD (pH = 7.4)
-3.0613296
Log P
-1.352835
Molar Refractivity
40.5234
Polarizability
16.779062
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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