SMILES:
CC(c1ccc(OC(F)(F)F)cc1)N1Cc2cc(Br)cc(Cl)c2C1=OMolecular Processing
Molecular formula
C17H12BrClF3NO2
Molecular weight
434.64
Exact mass
432.9692
XLogP
5.72
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
90.57
Supplementary Information
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