Name: compound
SMILES:
CCOC(=O)c1cnn(Cc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)FMolecular Processing
Molecular formula
C18H13F6N3O2S
Molecular weight
449.38
Exact mass
449.0633
XLogP
5.27
TPSA
57.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
94.84
Supplementary Information
Details werden geladen…
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