Molecule

ID:39864

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₅O₃S
Molecular Mass
276.180516
Exact Mass
275.98795612
Charge
0
InChI
InChI=1S/C8H5F5O3S/c1-2-17(14,15)16-8-6(12)4(10)3(9)5(11)7(8)13/h2H2,1H3
InChIKey
JVWDCZRRFOAOPI-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2980525
LogD (pH = 7.4)
2.2980525
Log P
2.2980525
Molar Refractivity
46.7458
Polarizability
18.229156
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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