Molecule

ID:90565

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂S
Molecular Mass
233.28624
Exact Mass
233.0510496
Charge
0
InChI
InChI=1S/C12H11NO2S/c1-2-15-12(14)10-5-3-4-9(8-10)11-13-6-7-16-11/h3-8H,2H2,1H3
InChIKey
LHYDRQQHIJUWDE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)c1nccs1
Isomeric Smiles
O(C(=O)c1cc(ccc1)c1nccs1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0166123
LogD (pH = 7.4)
3.0170877
Log P
3.0170937
Molar Refractivity
73.1419
Polarizability
24.639475
Polar Surface Area
39.19
Rotatable Bonds
4
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
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References
Bioactivity
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