Molecule

ID:39778

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₅S
Molecular Mass
293.37972
Exact Mass
293.12969384
Charge
0
InChI
InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
InChIKey
RXNQBVRCZIYUJK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)COS(=O)(=O)C)OC(C)(C)C
Isomeric Smiles
S(=O)(=O)(OCC1CCN(C(=O)OC(C)(C)C)CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8051391
LogD (pH = 7.4)
0.8051391
Log P
0.8051391
Molar Refractivity
70.9833
Polarizability
28.977322
Polar Surface Area
72.91
Rotatable Bonds
5
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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