Molecule

ID:82804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄S
Molecular Mass
291.32232
Exact Mass
291.0565289
Charge
0
InChI
InChI=1S/C14H13NO4S/c1-2-17-14(16)9-8-20-13(15-9)12-7-18-10-5-3-4-6-11(10)19-12/h3-6,8,12H,2,7H2,1H3
InChIKey
BSHNUKBUTVBBHI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)C1COc2c(O1)cccc2
Isomeric Smiles
n1c(C2COc3ccccc3O2)scc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.700902
LogD (pH = 7.4)
2.7009022
Log P
2.7009022
Molar Refractivity
72.3106
Polarizability
28.363478
Polar Surface Area
57.65
Rotatable Bonds
4
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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