Molecule

ID:9752

General Information
Structure
Molecular Formula
C₂F₄O₃S
Molecular Mass
180.0782128
Exact Mass
179.95042774
Charge
0
InChI
InChI=1S/C2F4O3S/c3-1(7)2(4,5)10(6,8)9
InChIKey
YIHXQSQQJBEAKK-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(S(=O)(=O)F)(F)F
Isomeric Smiles
FS(=O)(=O)C(C(=O)F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7767846
LogD (pH = 7.4)
0.7767846
Log P
0.7767846
Molar Refractivity
21.9158
Polarizability
9.019953
Polar Surface Area
51.21
Rotatable Bonds
2
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
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References
Bioactivity
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