Molecule

ID:94880

General Information
Structure
MolImage
Molecular Formula
C₄HF₉O₃S
Molecular Mass
300.0995688
Exact Mass
299.95026887
Charge
0
InChI
InChI=1S/C4HF9O3S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H
InChIKey
XLXYXEHVIIRCGY-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC(C(S(=O)(=O)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
S(=O)(=O)(C(C(OC(C(F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
18.815912
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.86432
LogD (pH = 7.4)
2.86432
Log P
2.86432
Molar Refractivity
33.1916
Polarizability
13.468615
Polar Surface Area
43.37
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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