Molecule

ID:40157

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₅O₃S
Molecular Mass
366.303056
Exact Mass
366.03490631
Charge
0
InChI
InChI=1S/C15H11F5O3S/c1-6-4-7(2)15(8(3)5-6)24(21,22)23-14-12(19)10(17)9(16)11(18)13(14)20/h4-5H,1-3H3
InChIKey
WHMSVBXYAVAYQY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(c(c1)C)S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
S(=O)(=O)(Oc1c(c(c(c(c1F)F)F)F)F)c1c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4438457
LogD (pH = 7.4)
5.4438457
Log P
5.4438457
Molar Refractivity
77.146
Polarizability
28.922802
Polar Surface Area
43.37
Rotatable Bonds
3
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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