Molecule

ID:99574

General Information
Structure
MolImage
Molecular Formula
C₆F₁₁NaO₂
Molecular Mass
336.0352052
Exact Mass
335.96203394
Charge
0
InChI
InChI=1S/C6HF11O2.Na/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17;/h(H,18,19);/q;+1/p-1
InChIKey
UIMRWXUIVFZGSD-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+]
Isomeric Smiles
O=C(C(C(F)(F)C(C(F)(F)C(F)(F)F)(F)F)(F)F)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-0.77681065
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.18286228
LogD (pH = 7.4)
0.18209596
Log P
3.7115538
Molar Refractivity
43.163
Polarizability
12.762436
Polar Surface Area
40.13
Rotatable Bonds
5
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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