Cl.NCC12CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3F)CC1CCO2
SMILES: Cl.NCC12CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3F)CC1CCO2

Molecular Processing

Molecular formula
C20H21ClF3N3O4
Molecular weight
459.85
Exact mass
459.1173
XLogP
2.24
TPSA
97.79
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
108.94

Supplementary Information

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