Molecule

ID:42304

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₃N₂OS₂
Molecular Mass
328.3326896
Exact Mass
327.99518951
Charge
0
InChI
InChI=1S/C13H7F3N2OS2/c14-13(15,16)8-2-1-3-9(6-8)21-11-10(7-19)18-4-5-20-12(18)17-11/h1-7H
InChIKey
QAONKFBVSURDOH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Sc2cccc(c2)C(F)(F)F)nc2n1ccs2
Isomeric Smiles
n1c(c(n2c1scc2)C=O)Sc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3729744
LogD (pH = 7.4)
4.3729997
Log P
4.373
Molar Refractivity
88.9452
Polarizability
27.747633
Polar Surface Area
34.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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