Molecule

ID:97783

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₆O₈S₃
Molecular Mass
514.3939392
Exact Mass
513.92854954
Charge
0
InChI
InChI=1S/C14H8F6O8S3/c15-13(16,17)30(23,24)27-9-1-5-11(6-2-9)29(21,22)12-7-3-10(4-8-12)28-31(25,26)14(18,19)20/h1-8H
InChIKey
DVNATAWRXVKURV-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)OS(=O)(=O)C(F)(F)F)c1ccc(cc1)OS(=O)(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
5.349501
LogD (pH = 7.4)
5.349501
Log P
5.349501
Molar Refractivity
89.9578
Polarizability
37.292522
Polar Surface Area
120.88
Rotatable Bonds
8
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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