Molecule

ID:9768

General Information
Structure
Molecular Formula
C₁₀H₉F₅O₃S
Molecular Mass
304.233676
Exact Mass
304.01925625
Charge
0
InChI
InChI=1S/C10H9F5O3S/c1-7-2-4-8(5-3-7)19(16,17)18-6-9(11,12)10(13,14)15/h2-5H,6H2,1H3
InChIKey
JBHQQXONFHOEQU-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(COS(=O)(=O)c1ccc(cc1)C)F
Isomeric Smiles
C(C(COS(=O)(=O)c1ccc(cc1)C)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7012737
LogD (pH = 7.4)
3.7012737
Log P
3.7012737
Molar Refractivity
56.3221
Polarizability
21.806189
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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