Molecule

ID:42557

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NS
Molecular Mass
269.2854096
Exact Mass
269.04860499
Charge
0
InChI
InChI=1S/C13H10F3NS/c14-13(15,16)9-2-1-3-12(8-9)18-11-6-4-10(17)5-7-11/h1-8H,17H2
InChIKey
MXBVQWHZDLNCOK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Sc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(Sc2ccc(N)cc2)ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2058578
LogD (pH = 7.4)
4.2108536
Log P
4.210918
Molar Refractivity
69.4162
Polarizability
25.084093
Polar Surface Area
26.02
Rotatable Bonds
3
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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