SMILES:
Cc1c(NS(=O)(=O)c2ccccc2)cccc1OCCc1ccc(C#N)cc1Molecular Processing
Molecular formula
C22H20N2O3S
Molecular weight
392.48
Exact mass
392.1195
XLogP
4.29
TPSA
79.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
108.79
Supplementary Information
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