Molecule

ID:99621

General Information
Structure
MolImage
Molecular Formula
CHF₃O₃S
Molecular Mass
150.0770496
Exact Mass
149.95984955
Charge
0
InChI
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
InChIKey
ITMCEJHCFYSIIV-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)O)(F)F
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
-3.4301212
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2283616
LogD (pH = 7.4)
-1.2283617
Log P
1.1480371
Molar Refractivity
16.9819
Polarizability
7.5827928
Polar Surface Area
54.37
Rotatable Bonds
1
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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