Molecule

ID:12124

General Information
Structure
MolImage
Molecular Formula
C₂BrF₂NaO₂
Molecular Mass
196.9107764
Exact Mass
195.89474196
Charge
0
InChI
InChI=1S/C2HBrF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKey
CAQKQIYWKXZJGD-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(Br)(F)F.[Na+]
Isomeric Smiles
[Na+].C(=O)(C(F)(F)Br)[O-]
Calculated Properties
JChem
Acid pKa
0.78479344
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.2360017
LogD (pH = 7.4)
-2.263069
Log P
1.2660424
Molar Refractivity
32.1343
Polarizability
8.252107
Polar Surface Area
40.13
Rotatable Bonds
1
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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