Molecule

ID:51207

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₃S
Molecular Mass
243.32258
Exact Mass
243.09291441
Charge
0
InChI
InChI=1S/C11H17NO3S/c1-2-15-10(14)8-5-3-4-6-11(8)12-9(13)7-16-11/h8H,2-7H2,1H3,(H,12,13)
InChIKey
XOLQMWXLDWTQBW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCCC21SCC(=O)N2
Isomeric Smiles
C12(NC(=O)CS1)C(C(=O)OCC)CCCC2
Calculated Properties
JChem
Acid pKa
11.307162
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.276444
LogD (pH = 7.4)
1.2763969
Log P
1.2764446
Molar Refractivity
61.9246
Polarizability
24.625114
Polar Surface Area
55.4
Rotatable Bonds
3
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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