Molecule

ID:25877

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₂N₂O₂S
Molecular Mass
324.3456664
Exact Mass
324.07440514
Charge
0
InChI
InChI=1S/C15H14F2N2O2S/c1-9-5-12(14(16)17)19-15(18-9)22-8-11-6-10(7-20)3-4-13(11)21-2/h3-7,14H,8H2,1-2H3
InChIKey
UAJMJTLQDUMQRF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)CSc1nc(C)cc(n1)C(F)F)OC
Isomeric Smiles
c1(nc(cc(n1)C)C(F)F)SCc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2095578
LogD (pH = 7.4)
3.2096777
Log P
3.2096791
Molar Refractivity
82.458
Polarizability
30.552696
Polar Surface Area
52.08
Rotatable Bonds
6
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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