CC(C)(O)c1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1
SMILES: CC(C)(O)c1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1

Molecular Processing

Molecular formula
C25H17F6N3O
Molecular weight
489.42
Exact mass
489.1276
XLogP
6.06
TPSA
50.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
35
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
0.2
Molar refractivity
116.09

Supplementary Information

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