Molecule

ID:39932

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₃S
Molecular Mass
263.31222
Exact Mass
263.06161428
Charge
0
InChI
InChI=1S/C13H13NO3S/c1-3-17-13(15)11-8-18-12(14-11)9-4-6-10(16-2)7-5-9/h4-8H,3H2,1-2H3
InChIKey
IZEUWGPRBNUAFE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)c1ccc(cc1)OC
Isomeric Smiles
c1(nc(sc1)c1ccc(cc1)OC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0452719
LogD (pH = 7.4)
3.0452728
Log P
3.0452728
Molar Refractivity
79.2331
Polarizability
27.19029
Polar Surface Area
48.42
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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