Molecule

ID:41548

General Information
Structure
Molecular Formula
C₁₃H₁₁FO₂S
Molecular Mass
250.2886432
Exact Mass
250.04637881
Charge
0
InChI
InChI=1S/C13H11FO2S/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKey
RLLSTFBIYBXBIU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(s1)c1ccc(cc1)F
Isomeric Smiles
s1c(ccc1c1ccc(cc1)F)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0330453
LogD (pH = 7.4)
4.0330453
Log P
4.0330453
Molar Refractivity
64.8585
Polarizability
25.870565
Polar Surface Area
26.3
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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