Molecule
ID:123927
General Information
Molecular Formula
C₁₁H₁₅NO₄S
Molecular Mass
257.3061
Exact Mass
257.07217897
Charge
0
InChI
InChI=1S/C11H15NO4S/c1-16-11(13)9-12(17(2,14)15)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
XXVQIVWOROBARJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN(S(=O)(=O)C)Cc1ccccc1
Isomeric Smiles
S(=O)(=O)(N(CC(=O)OC)Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.2604531
LogD (pH = 7.4)
0.2604531
Log P
0.2604531
Molar Refractivity
63.3266
Polarizability
25.660149
Polar Surface Area
63.68
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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