SMILES:
COc1cc(-n2c(C(C)(C)c3ccc(S(N)(=O)=O)c(Cl)c3)cnc2S)ccc1FMolecular Processing
Molecular formula
C19H19ClFN3O3S2
Molecular weight
455.96
Exact mass
455.054
XLogP
3.94
TPSA
87.21
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
112.28
Supplementary Information
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