SMILES:
OCCNc1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1Molecular Processing
Molecular formula
C23H15F6N5O
Molecular weight
491.4
Exact mass
491.1181
XLogP
4.63
TPSA
75.34
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35
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
0.174
Molar refractivity
114.22
Supplementary Information
Obteniendo detalles…
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