SMILES:
CCOc1cc(-c2cc(C(F)(F)F)n3ncc(C#Cc4ccc(N)nc4)c3n2)ccc1C(F)(F)FMolecular Processing
Molecular formula
C23H15F6N5O
Molecular weight
491.4
Exact mass
491.1181
XLogP
5.21
TPSA
78.33
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
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
114.23
Supplementary Information
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