Molecule

ID:94712

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₆O₃S
Molecular Mass
322.2241392
Exact Mass
322.00983444
Charge
0
InChI
InChI=1S/C10H8F6O3S/c1-20(17,18)19-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,5H2,1H3
InChIKey
ZPWKYNJFFAWNSM-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(COS(=O)(=O)C)cc(c1)C(F)(F)F)(F)F
Isomeric Smiles
O(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8977573
LogD (pH = 7.4)
2.8977573
Log P
2.8977573
Molar Refractivity
57.5738
Polarizability
21.864359
Polar Surface Area
43.37
Rotatable Bonds
5
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
No Data Available
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Molecule Details
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References
Bioactivity
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