Molecule

ID:42958

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₃OS
Molecular Mass
230.2063096
Exact Mass
230.00132044
Charge
0
InChI
InChI=1S/C10H5F3OS/c11-10(12,13)7-2-1-6-3-8(5-14)15-9(6)4-7/h1-5H
InChIKey
GFKKYNVBFYVYIA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(s1)cc(cc2)C(F)(F)F
Isomeric Smiles
C(c1cc2sc(cc2cc1)C=O)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5720608
LogD (pH = 7.4)
3.5720608
Log P
3.5720608
Molar Refractivity
51.7399
Polarizability
19.513382
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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