Molecule

ID:9751

General Information
Structure
MolImage
Molecular Formula
C₂HF₃O₄S
Molecular Mass
178.0871496
Exact Mass
177.95476417
Charge
0
InChI
InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)
InChIKey
VYDQUABHDFWIIX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(S(=O)(=O)F)(F)F
Isomeric Smiles
FS(=O)(=O)C(C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
1.0759743
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.946331
LogD (pH = 7.4)
-2.9977272
Log P
0.5310442
Molar Refractivity
22.6923
Polarizability
9.549669
Polar Surface Area
71.44
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
References
Bioactivity
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