Molecule

ID:98173

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₉O₂S
Molecular Mass
360.1961288
Exact Mass
359.98665438
Charge
0
InChI
InChI=1S/C10H5F9O2S/c11-8(12,13)6-1-5(2-7(3-6)9(14,15)16)4-22(20,21)10(17,18)19/h1-3H,4H2
InChIKey
VTBVTQYWSNXXNY-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)CS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
FC(c1cc(cc(c1)CS(=O)(=O)C(F)(F)F)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
17.553919
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4397984
LogD (pH = 7.4)
4.4397984
Log P
4.4397984
Molar Refractivity
56.84
Polarizability
21.15209
Polar Surface Area
34.14
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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