SMILES:
Cn1cc(-c2cc(-c3ccccc3F)ncc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)cn1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C26H17ClF5N5O5S2
Molecular weight
674.03
Exact mass
673.028
XLogP
6.76
TPSA
136.3
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
44
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
2
Fraction Csp3
0.077
Molar refractivity
149.93
Supplementary Information
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