COC(=O)C(C)Oc1cccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)c1
SMILES: COC(=O)C(C)Oc1cccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2Cl)c1

Molecular Processing

Molecular formula
C22H17ClF4N2O6
Molecular weight
516.83
Exact mass
516.0711
XLogP
4.08
TPSA
88.76
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
115.87

Supplementary Information

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