SMILES:
O=C(Nc1ccc2c(c1)B(O)OC2C1CCCC1)c1ccc(F)cc1C(F)(F)FMolecular Processing
Molecular formula
C20H18BF4NO3
Molecular weight
407.17
Exact mass
407.1316
XLogP
4.05
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
99.19
Supplementary Information
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