SMILES:
COc1cc(CC2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CMolecular Processing
Molecular formula
C29H28F6N2O2
Molecular weight
550.54
Exact mass
550.2055
XLogP
6.61
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
134.42
Supplementary Information
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