SMILES:
Cc1cc(N2CC(S(C)(=O)=O)CC2C(=O)O)n(-c2ccc(C(F)(F)F)cc2)n1Molecular Processing
Molecular formula
C17H18F3N3O4S
Molecular weight
417.41
Exact mass
417.097
XLogP
2.28
TPSA
92.5
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
95.32
Supplementary Information
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