Molecule

ID:99030

General Information
Structure
MolImage
Molecular Formula
C₄F₇NaO₂
Molecular Mass
236.0201924
Exact Mass
235.96842106
Charge
0
InChI
InChI=1S/C4HF7O2.Na/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13);/q;+1/p-1
InChIKey
YSHHTXWLHYSYJP-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.[Na+]
Isomeric Smiles
FC(F)(C(F)(F)C(C(=O)[O-])(F)F)F.[Na+]
Calculated Properties
JChem
Acid pKa
1.0653573
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.1682938
LogD (pH = 7.4)
-1.2185198
Log P
2.3102684
Molar Refractivity
33.827
Polarizability
8.93057
Polar Surface Area
40.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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