CN(CC1COC(=O)O1)c1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
SMILES: CN(CC1COC(=O)O1)c1c(S(=O)(=O)C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

Molecular Processing

Molecular formula
C17H10Cl2F6N4O5S
Molecular weight
567.25
Exact mass
565.9653
XLogP
4.33
TPSA
114.52
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
106.03

Supplementary Information

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