N#Cc1cc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cnc1N
SMILES: N#Cc1cc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cnc1N

Molecular Processing

Molecular formula
C22H10F6N6
Molecular weight
472.35
Exact mass
472.0871
XLogP
4.68
TPSA
92.89
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
107.77

Supplementary Information

Obteniendo detalles…

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