Molecule

ID:12152

General Information
Structure
MolImage
Molecular Formula
C₃F₆O₄S
Molecular Mass
246.0851192
Exact Mass
245.9421488
Charge
0
InChI
InChI=1S/C3F6O4S/c4-2(5,6)1(10)13-14(11,12)3(7,8)9
InChIKey
FWJGTOABGBFQNT-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
Isomeric Smiles
O=C(OS(=O)(=O)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4232585
LogD (pH = 7.4)
2.4232585
Log P
2.4232585
Molar Refractivity
27.1436
Polarizability
11.732111
Polar Surface Area
60.44
Rotatable Bonds
4
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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