Molecule

ID:38043

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃N₂O₂S
Molecular Mass
308.3199096
Exact Mass
308.08063339
Charge
0
InChI
InChI=1S/C12H15F3N2O2S/c1-11(2,3)7-5-8(12(13,14)15)17-10(16-7)20-6-9(18)19-4/h5H,6H2,1-4H3
InChIKey
MHTYAVSXZWTVEI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSc1nc(cc(n1)C(F)(F)F)C(C)(C)C
Isomeric Smiles
c1(nc(C(F)(F)F)cc(n1)C(C)(C)C)SCC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8638608
LogD (pH = 7.4)
3.863887
Log P
3.8638875
Molar Refractivity
70.3241
Polarizability
26.448118
Polar Surface Area
52.08
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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