O=C1N(c2ccc(OS(=O)(=O)C(F)(F)F)c(Cc3ccccc3)n2)CCC12OCCO2
SMILES: O=C1N(c2ccc(OS(=O)(=O)C(F)(F)F)c(Cc3ccccc3)n2)CCC12OCCO2

Molecular Processing

Molecular formula
C19H17F3N2O6S
Molecular weight
458.41
Exact mass
458.0759
XLogP
2.38
TPSA
95.03
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
100.69

Supplementary Information

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