Molecule

ID:45158

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₃N₂S
Molecular Mass
242.2203096
Exact Mass
242.01255383
Charge
0
InChI
InChI=1S/C10H5F3N2S/c1-5-15-8-3-7(10(11,12)13)6(4-14)2-9(8)16-5/h2-3H,1H3
InChIKey
BLGPATUPJQLKNQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2sc(nc2cc1C(F)(F)F)C
Isomeric Smiles
n1c2c(sc1C)cc(c(C(F)(F)F)c2)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9699678
LogD (pH = 7.4)
2.9704747
Log P
2.9704812
Molar Refractivity
53.2647
Polarizability
20.353094
Polar Surface Area
36.68
Rotatable Bonds
1
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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