Molecule

ID:99176

General Information
Structure
MolImage
Molecular Formula
C₂HF₅O₂S
Molecular Mass
184.085156
Exact Mass
183.96174137
Charge
0
InChI
InChI=1S/C2HF5O2S/c3-1(2(4,5)6)10(7,8)9/h1H
InChIKey
KQAPHIQIAHGITH-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)F)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(C(C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.227071
LogD (pH = 7.4)
1.227071
Log P
1.227071
Molar Refractivity
20.7209
Polarizability
8.827848
Polar Surface Area
34.14
Rotatable Bonds
2
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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