SMILES:
Nc1ccc(C#Cc2cnn3c(C4CC4)cc(-c4ccc(C(F)(F)F)cc4)nc23)cn1Molecular Processing
Molecular formula
C23H16F3N5
Molecular weight
419.41
Exact mass
419.1358
XLogP
4.67
TPSA
69.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
110.03
Supplementary Information
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