Molecule

ID:8058

General Information
Structure
Molecular Formula
C₁₀H₁₀F₄O₃S
Molecular Mass
286.2432128
Exact Mass
286.02867806
Charge
0
InChI
InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
InChIKey
IMDNPHAMGJIKNV-UHFFFAOYSA-N
Canonic Smiles
FC(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)F
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)OCC(C(F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2125132
LogD (pH = 7.4)
3.2125132
Log P
3.2125132
Molar Refractivity
55.4324
Polarizability
21.839441
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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