Molecule

ID:115744

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₂S₂
Molecular Mass
283.3417032
Exact Mass
283.01369879
Charge
0
InChI
InChI=1S/C12H10FNO2S2/c13-9-3-1-8(2-4-9)6-17-12-14-10(7-18-12)5-11(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKey
RTTFSAIGPOQECY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)SCc1ccc(cc1)F
Isomeric Smiles
n1c(scc1CC(=O)O)SCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
3.6945708
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.922372
LogD (pH = 7.4)
0.42178622
Log P
3.7315013
Molar Refractivity
69.3124
Polarizability
26.565138
Polar Surface Area
50.19
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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