Molecule

ID:97297

General Information
Structure
MolImage
Molecular Formula
C₃CeF₉O₉S₃
Molecular Mass
587.3233288
Exact Mass
586.76151156
Charge
0
InChI
InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey
PHSMPGGNMIPKTH-UHFFFAOYSA-K
Canonic Smiles
FC(S(=O)(=O)O[Ce](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
[Ce](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
5.1582
LogD (pH = 7.4)
5.1582
Log P
5.1582
Molar Refractivity
47.3025
Polarizability
28.444916
Polar Surface Area
130.11
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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