Nom: compound 20a
SMILES:
O=C(/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccccc1)CCc1ccccc1Molecular Processing
Molecular formula
C25H24O5
Molecular weight
404.46
Exact mass
404.1624
XLogP
3.92
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
110.65
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→