Molecule

ID:12119

General Information
Structure
MolImage
Molecular Formula
C₃HF₄KO₂
Molecular Mass
184.1307528
Exact Mass
183.95497383
Charge
0
InChI
InChI=1S/C3H2F4O2.K/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1
InChIKey
JCMUVGLPXQXZFM-UHFFFAOYSA-M
Canonic Smiles
FC(C(C(=O)[O-])(F)F)F.[K+]
Isomeric Smiles
[O-]C(=O)C(C(F)F)(F)F.[K+]
Calculated Properties
JChem
Acid pKa
1.7900286
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.188598
LogD (pH = 7.4)
-2.4050102
Log P
1.1208651
Molar Refractivity
28.2693
Polarizability
6.855191
Polar Surface Area
40.13
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
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Molecule Details
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References
Bioactivity
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