SMILES:
FC1(F)Oc2cccc(CN3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)c2O1Molecular Processing
Molecular formula
C18H15F5N6O2
Molecular weight
442.35
Exact mass
442.1177
XLogP
2.79
TPSA
68.02
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
95.92
Supplementary Information
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