Molecule

ID:43939

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₃O₂S
Molecular Mass
260.2322896
Exact Mass
260.01188512
Charge
0
InChI
InChI=1S/C11H7F3O2S/c1-16-10(15)9-5-6-7(11(12,13)14)3-2-4-8(6)17-9/h2-5H,1H3
InChIKey
YIBQKUYCGBJTHR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1)c(ccc2)C(F)(F)F
Isomeric Smiles
c1(cccc2c1cc(s2)C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8630354
LogD (pH = 7.4)
3.8630354
Log P
3.8630354
Molar Refractivity
57.1812
Polarizability
22.094439
Polar Surface Area
26.3
Rotatable Bonds
3
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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