Molecule

ID:97060

General Information
Structure
Molecular Formula
C₃F₆O₃S
Molecular Mass
230.0857192
Exact Mass
229.94723418
Charge
0
InChI
InChI=1S/C3F6O3S/c4-1(2(5)6)3(7,8)12-13(9,10)11
InChIKey
LIZZWVXXYAALGG-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(OS(=O)(=O)F)(F)F)F)F
Isomeric Smiles
O(C(F)(F)C(=C(F)F)F)S(=O)(=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5481745
LogD (pH = 7.4)
1.5481745
Log P
1.5481745
Molar Refractivity
38.175
Polarizability
11.183928
Polar Surface Area
43.37
Rotatable Bonds
3
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
References
Bioactivity
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