SMILES:
OC(CN(Cc1cccc(Br)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)FMolecular Processing
Molecular formula
C22H19BrF3NO2
Molecular weight
466.3
Exact mass
465.0551
XLogP
6.17
TPSA
32.7
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
110.21
Supplementary Information
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