Molecule

ID:40344

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₅O₃S
Molecular Mass
290.207096
Exact Mass
290.00360618
Charge
0
InChI
InChI=1S/C9H7F5O3S/c1-3(2)18(15,16)17-9-7(13)5(11)4(10)6(12)8(9)14/h3H,1-2H3
InChIKey
DASGOYYWRWBJQX-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F)C
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8668168
LogD (pH = 7.4)
2.8668168
Log P
2.8668168
Molar Refractivity
51.2884
Polarizability
19.972576
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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