Molecule

ID:95917

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃F₃O₂S
Molecular Mass
326.3334296
Exact Mass
326.05883532
Charge
0
InChI
InChI=1S/C16H13F3O2S/c1-21-15(20)12-5-2-4-11(8-12)10-22-14-7-3-6-13(9-14)16(17,18)19/h2-9H,10H2,1H3
InChIKey
XBTPPDFBUNUWMA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)CSc1cccc(c1)C(F)(F)F
Isomeric Smiles
O=C(c1cccc(c1)CSc1cccc(c1)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1034837
LogD (pH = 7.4)
5.1034837
Log P
5.1034837
Molar Refractivity
81.4777
Polarizability
30.257494
Polar Surface Area
26.3
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
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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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