Nom: 3-(2,4-dioxobicyclo[3.2.1]oct-3-yl)-4-ethylphenylboronic acid
SMILES:
CCc1ccc(B(O)O)cc1C1C(=O)C2CCC(C2)C1=OMolecular Processing
Molecular formula
C16H19BO4
Molecular weight
286.14
Exact mass
286.1376
XLogP
0.58
TPSA
74.6
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.23
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→