Molecule

ID:99092

General Information
Structure
MolImage
Molecular Formula
C₈F₁₅NaO₂
Molecular Mass
436.050218
Exact Mass
435.95564682
Charge
0
InChI
InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
InChIKey
LWHQXUODFPPQTL-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)C(F)(C(C(C(F)(C(F)(F)C(F)(F)C(F)(F)F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
-4.198617
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5833719
LogD (pH = 7.4)
1.5833716
Log P
5.112839
Molar Refractivity
52.499
Polarizability
16.596481
Polar Surface Area
40.13
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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