SMILES:
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Oc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-].[NH4+]Molecular Processing
Molecular formula
C21H14Cl3F6N3O5S
Molecular weight
640.77
Exact mass
638.9624
XLogP
8.4
TPSA
144.06
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
2
Fraction Csp3
0.095
Molar refractivity
131.02
Supplementary Information
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