Molecule

ID:41272

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁FO₃S
Molecular Mass
266.2880432
Exact Mass
266.04129343
Charge
0
InChI
InChI=1S/C13H11FO3S/c1-16-13(15)12-11(6-7-18-12)17-8-9-2-4-10(14)5-3-9/h2-7H,8H2,1H3
InChIKey
RAUPKWHRUCKBSO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1OCc1ccc(cc1)F
Isomeric Smiles
c1(c(ccs1)OCc1ccc(F)cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.599108
LogD (pH = 7.4)
3.599108
Log P
3.599108
Molar Refractivity
66.2654
Polarizability
25.267982
Polar Surface Area
35.53
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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