Molecule

ID:38101

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂S
Molecular Mass
189.2752
Exact Mass
189.08234973
Charge
0
InChI
InChI=1S/C8H15NO2S/c1-2-11-8(10)7-9-3-5-12-6-4-9/h2-7H2,1H3
InChIKey
OIOSZBXAWCXWPL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCSCC1
Isomeric Smiles
C1CSCCN1CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.10668216
LogD (pH = 7.4)
0.5140441
Log P
0.53201354
Molar Refractivity
50.9505
Polarizability
20.100006
Polar Surface Area
29.54
Rotatable Bonds
4
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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