SMILES:
O=C1C(NS(=O)(=O)c2cc3ccc(F)cc3s2)CCN1Cc1cc2ncccc2o1Molecular Processing
Molecular formula
C20H16FN3O4S2
Molecular weight
445.5
Exact mass
445.0566
XLogP
3.26
TPSA
92.51
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
109.94
Supplementary Information
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