Molecule

ID:40983

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃N₂O₃S
Molecular Mass
344.3089496
Exact Mass
344.04424788
Charge
0
InChI
InChI=1S/C14H11F3N2O3S/c1-19-12(9(7-20)11(18-19)14(15,16)17)23-10-6-4-3-5-8(10)13(21)22-2/h3-7H,1-2H3
InChIKey
LXJSPNAOHFGHSS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1Sc1n(C)nc(c1C=O)C(F)(F)F
Isomeric Smiles
c1(c(c(n(n1)C)Sc1c(C(=O)OC)cccc1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6588244
LogD (pH = 7.4)
3.6588244
Log P
3.6588244
Molar Refractivity
91.1098
Polarizability
29.14739
Polar Surface Area
61.19
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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