Molecule

ID:97447

General Information
Structure
Molecular Formula
C₇F₅NaO₂
Molecular Mass
234.055486
Exact Mass
233.97161462
Charge
0
InChI
InChI=1S/C7HF5O2.Na/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h(H,13,14);/q;+1/p-1
InChIKey
TYLVUOJLQDVPMQ-UHFFFAOYSA-M
Canonic Smiles
Fc1c(F)c(C(=O)[O-])c(c(c1F)F)F.[Na+]
Isomeric Smiles
O=C(c1c(c(c(c(c1F)F)F)F)F)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
2.053602
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8407367
LogD (pH = 7.4)
-1.1785612
Log P
2.3443384
Molar Refractivity
45.2333
Polarizability
12.0953865
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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