Molecule

ID:6761

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₈O₃S
Molecular Mass
282.1091056
Exact Mass
281.95969068
Charge
0
InChI
InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
InChIKey
QHZUUSNAUOEJBB-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(COS(=O)(=O)C(F)(F)F)F
Isomeric Smiles
C(C(COS(=O)(=O)C(F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1817367
LogD (pH = 7.4)
3.1817367
Log P
3.1817367
Molar Refractivity
31.5823
Polarizability
13.312066
Polar Surface Area
43.37
Rotatable Bonds
5
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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