Molecule

ID:54566

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClF₃N₂O₂S
Molecular Mass
360.7387296
Exact Mass
359.99471085
Charge
0
InChI
InChI=1S/C14H8ClF3N2O2S/c15-12-10-6-7-20(13(10)19-8-11(12)14(16,17)18)23(21,22)9-4-2-1-3-5-9/h1-8H
InChIKey
FDWUFDIEKNWJQX-UHFFFAOYSA-N
Canonic Smiles
Clc1c2ccn(c2ncc1C(F)(F)F)S(=O)(=O)c1ccccc1
Isomeric Smiles
c1(cnc2c(c1Cl)ccn2S(=O)(=O)c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6330645
LogD (pH = 7.4)
3.6330645
Log P
3.6330645
Molar Refractivity
78.739
Polarizability
30.808626
Polar Surface Area
51.96
Rotatable Bonds
2
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
References
Bioactivity
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