SMILES:
CC1(C)OB(c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)OC1(C)CMolecular Processing
Molecular formula
C20H20BF5N2O3
Molecular weight
442.19
Exact mass
442.1487
XLogP
4.93
TPSA
59.59
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.16
Supplementary Information
Details werden geladen…
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