Molecule

ID:97075

General Information
Structure
Molecular Formula
C₂₃H₂₃F₃O₃S₂
Molecular Mass
468.5521296
Exact Mass
468.10407126
Charge
0
InChI
InChI=1S/C22H23S.CHF3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey
RLAWXWSZTKMPQQ-UHFFFAOYSA-M
Canonic Smiles
FC(S(=O)(=O)[O-])(F)F.CC(c1ccc(cc1)[S+](c1ccccc1)c1ccccc1)(C)C
Isomeric Smiles
[S+](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(C)(C)C.FC(F)(F)S(=O)(=O)[O-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.507699
LogD (pH = 7.4)
5.507699
Log P
5.507699
Molar Refractivity
100.8446
Polarizability
40.223633
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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