Molecule

ID:16225

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₅S
Molecular Mass
279.35314
Exact Mass
279.11404378
Charge
0
InChI
InChI=1S/C11H21NO5S/c1-11(2,3)17-10(13)12-6-5-9(7-12)8-16-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey
XFRHYGNZDGDQST-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(C1)COS(=O)(=O)C)OC(C)(C)C
Isomeric Smiles
C1C(CN(C1)C(=O)OC(C)(C)C)COS(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.4021272
LogD (pH = 7.4)
0.4021272
Log P
0.4021272
Molar Refractivity
66.2835
Polarizability
27.153282
Polar Surface Area
72.91
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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