SMILES:
CCOC=Cc1cc(NC(=O)C(F)(F)F)ccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2Molecular Processing
Molecular formula
C19H18BF3N2O6S
Molecular weight
470.23
Exact mass
470.0931
XLogP
2.21
TPSA
113.96
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
111.43
Supplementary Information
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