Molecule

ID:9945

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClF₃N₂O₂S₂
Molecular Mass
330.7343496
Exact Mass
329.95113178
Charge
0
InChI
InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3
InChIKey
BWVNHXIGDZASCP-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C(F)(F)F)c1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
c1(cc(n(n1)C)C(F)(F)F)c1sc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1214716
LogD (pH = 7.4)
3.121478
Log P
3.1214783
Molar Refractivity
75.8208
Polarizability
26.022223
Polar Surface Area
51.96
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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