Molecule

ID:95507

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₃F₃O₄S
Molecular Mass
394.3643296
Exact Mass
394.04866456
Charge
0
InChI
InChI=1S/C19H13F3O4S/c20-19(21,22)14-5-4-8-18(13-14)27(23,24)26-17-11-9-16(10-12-17)25-15-6-2-1-3-7-15/h1-13H
InChIKey
ACYAUWPFLQDDLG-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1cccc(c1)C(F)(F)F)Oc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
S(=O)(=O)(c1cccc(c1)C(F)(F)F)Oc1ccc(cc1)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5682073
LogD (pH = 7.4)
5.5682073
Log P
5.5682073
Molar Refractivity
93.1549
Polarizability
36.12567
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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