Molecule

ID:99161

General Information
Structure
MolImage
Molecular Formula
C₆F₅NaO
Molecular Mass
206.045386
Exact Mass
205.9767
Charge
0
InChI
InChI=1S/C6HF5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
InChIKey
GMKSUTIIASULKI-UHFFFAOYSA-M
Canonic Smiles
Fc1c([O-])c(F)c(c(c1F)F)F.[Na+]
Isomeric Smiles
[O-]c1c(c(c(c(c1F)F)F)F)F.[Na+]
Calculated Properties
JChem
Acid pKa
5.765602
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1974938
LogD (pH = 7.4)
0.904295
Log P
2.3831902
Molar Refractivity
39.6712
Polarizability
10.128562
Polar Surface Area
23.06
Rotatable Bonds
0
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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