Nc1ncc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1C(F)(F)F
SMILES: Nc1ncc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1C(F)(F)F

Molecular Processing

Molecular formula
C22H10F9N5
Molecular weight
515.34
Exact mass
515.0792
XLogP
5.83
TPSA
69.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
108.06

Supplementary Information

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