SMILES:
CS(=O)(=O)c1ccc(OCc2ccc(C3CCN(C#N)CC3)cn2)cc1Molecular Processing
Molecular formula
C19H21N3O3S
Molecular weight
371.46
Exact mass
371.1304
XLogP
2.72
TPSA
83.29
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
97.28
Supplementary Information
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