SMILES:
CCC(CO)NC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1Molecular Processing
Molecular formula
C22H20F3N3O3
Molecular weight
431.41
Exact mass
431.1457
XLogP
3.96
TPSA
87.28
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.51
Supplementary Information
Obteniendo detalles…
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