Nombre: racemic perfluorophenyl 1-(4-bromo-2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-6-sulfonate
SMILES:
COc1cc(Br)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)ccc21Molecular Processing
Molecular formula
C22H11BrF5NO5S
Molecular weight
576.29
Exact mass
574.9461
XLogP
5.23
TPSA
74.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
117.84
Supplementary Information
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