SMILES:
CC1(C)OB(c2ccc(CCCNC(=O)C(F)(F)F)c(C(F)(F)F)c2)OC1(C)CMolecular Processing
Molecular formula
C18H22BF6NO3
Molecular weight
425.18
Exact mass
425.1597
XLogP
3.62
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
94.55
Supplementary Information
Obteniendo detalles…
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