SMILES:
O=C(NCCc1ccc(-n2cc(-c3ccccc3)nc2C(F)(F)F)cc1)NS(=O)(=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C25H20ClF3N4O3S
Molecular weight
548.97
Exact mass
548.0897
XLogP
5.44
TPSA
93.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
132.88
Supplementary Information
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