SMILES:
CC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(O)(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(F)(F)F)n1Molecular Processing
Molecular formula
C42H46BF3N2O3
Molecular weight
694.65
Exact mass
694.3554
XLogP
8.6
TPSA
56.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
51
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
195.81
Supplementary Information
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