Molecule

ID:8607

General Information
Structure
Molecular Formula
C₉H₉F₄NO₂S
Molecular Mass
271.2318728
Exact Mass
271.02901241
Charge
0
InChI
InChI=1S/C9H9F4NO2S/c1-14(9(12,13)8(10)11)17(15,16)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
AGLGUWZOXRWJKP-UHFFFAOYSA-N
Canonic Smiles
FC(C(N(S(=O)(=O)c1ccccc1)C)(F)F)F
Isomeric Smiles
c1cccc(c1)S(=O)(=O)N(C(C(F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
19.587173
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.341103
LogD (pH = 7.4)
2.341103
Log P
2.341103
Molar Refractivity
53.1348
Polarizability
20.512959
Polar Surface Area
37.38
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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