Molecule

ID:98549

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₇F₉O₃S₂
Molecular Mass
576.4949088
Exact Mass
576.04754038
Charge
0
InChI
InChI=1S/C23H17F9O3S2/c1-16-12-14-19(15-13-16)36(17-8-4-2-5-9-17,18-10-6-3-7-11-18)35-37(33,34)23(31,32)21(26,27)20(24,25)22(28,29)30/h2-15H,1H3
InChIKey
YATIYGBRFSRDLH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
S(c1ccc(cc1)C)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
9.3345
LogD (pH = 7.4)
9.3345
Log P
9.3345
Molar Refractivity
118.3124
Polarizability
45.46822
Polar Surface Area
43.37
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
No Data Available
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Molecule Details
References
Bioactivity
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