Molecule

ID:38066

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₃N₂O₂S₂
Molecular Mass
348.3638496
Exact Mass
348.02140426
Charge
0
InChI
InChI=1S/C13H11F3N2O2S2/c1-2-20-11(19)7-22-12-17-8(9-4-3-5-21-9)6-10(18-12)13(14,15)16/h3-6H,2,7H2,1H3
InChIKey
QDRZOZRORMDXHU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSc1nc(cc(n1)C(F)(F)F)c1cccs1
Isomeric Smiles
c1(nc(C(F)(F)F)cc(n1)c1sccc1)SCC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1000123
LogD (pH = 7.4)
4.100013
Log P
4.100013
Molar Refractivity
78.4329
Polarizability
30.540981
Polar Surface Area
52.08
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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