SMILES:
COc1c(C#N)cc(C(=O)N2CSc3ccc(C(F)(F)F)cc32)cc1C(F)(F)FMolecular Processing
Molecular formula
C18H10F6N2O2S
Molecular weight
432.35
Exact mass
432.0367
XLogP
5.31
TPSA
53.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.69
Supplementary Information
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