Cc1cc(-c2ccc(C(F)(F)F)cc2)nc([C@H]2CC[C@@]3(CCN(C)C3=O)N2)n1.Cl
SMILES: Cc1cc(-c2ccc(C(F)(F)F)cc2)nc([C@H]2CC[C@@]3(CCN(C)C3=O)N2)n1.Cl

Molecular Processing

Molecular formula
C20H22ClF3N4O
Molecular weight
426.87
Exact mass
426.1434
XLogP
3.92
TPSA
58.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.45
Molar refractivity
104.55

Supplementary Information

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