Molecule

ID:87828

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₅S
Molecular Mass
273.3055
Exact Mass
273.06709359
Charge
0
InChI
InChI=1S/C11H15NO5S/c1-4-18(14,15)10-5-7(11(13)17-3)9(16-2)6-8(10)12/h5-6H,4,12H2,1-3H3
InChIKey
BBWJVKZAKHIKRQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC
Isomeric Smiles
O=C(c1c(cc(c(c1)S(=O)(=O)CC)N)OC)OC
Calculated Properties
JChem
Acid pKa
14.984054
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.3394313
LogD (pH = 7.4)
0.33943126
Log P
0.3394313
Molar Refractivity
67.9161
Polarizability
26.329424
Polar Surface Area
95.69
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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