Molecule

ID:98983

General Information
Structure
MolImage
Molecular Formula
C₄F₄Na₂O₅
Molecular Mass
250.0129528
Exact Mass
249.94772454
Charge
0
InChI
InChI=1S/C4H2F4O5.2Na/c5-3(6,1(9)10)13-4(7,8)2(11)12;;/h(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey
JCAHWOWMPZPPPE-UHFFFAOYSA-L
Canonic Smiles
[O-]C(=O)C(OC(C(=O)[O-])(F)F)(F)F.[Na+].[Na+]
Isomeric Smiles
[O-]C(=O)C(OC(F)(C(=O)[O-])F)(F)F.[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
1.1884413
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-5.3760157
LogD (pH = 7.4)
-5.668785
Log P
1.3855503
Molar Refractivity
48.2865
Polarizability
10.171621
Polar Surface Area
89.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation