SMILES:
Cc1nc(N)ccc1C#Cc1cnn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12Molecular Processing
Molecular formula
C22H14F5N5
Molecular weight
443.38
Exact mass
443.1169
XLogP
5.04
TPSA
69.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
107.75
Supplementary Information
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