Molecule

ID:26396

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂FNO₂S
Molecular Mass
265.3032832
Exact Mass
265.05727785
Charge
0
InChI
InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKey
CJMZLCRLBNZJQR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)scc1c1ccc(cc1)F
Isomeric Smiles
c1(c(csc1N)c1ccc(cc1)F)C(=O)OCC
Calculated Properties
JChem
Acid pKa
17.60062
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.89097
LogD (pH = 7.4)
3.89097
Log P
3.89097
Molar Refractivity
69.1506
Polarizability
27.003908
Polar Surface Area
52.32
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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