SMILES:
O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1Molecular Processing
Molecular formula
C17H16ClF3N2O2S
Molecular weight
404.84
Exact mass
404.0573
XLogP
4.2
TPSA
50.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
93.11
Supplementary Information
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