COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(O)cn1
SMILES: COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(O)cn1

Molecular Processing

Molecular formula
C31H26F9N3O2
Molecular weight
643.55
Exact mass
643.1881
XLogP
9.24
TPSA
58.48
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
45
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
147.55

Supplementary Information

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