OC[C@H]1OC(c2ccc(Br)c(Cc3ccc4c(c3)OCCO4)c2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1OC(c2ccc(Br)c(Cc3ccc4c(c3)OCCO4)c2)[C@H](O)[C@@H](O)[C@@H]1O

Molecular Processing

Molecular formula
C21H23BrO7
Molecular weight
467.31
Exact mass
466.0627
XLogP
1.33
TPSA
108.61
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
107.1

Supplementary Information

Récupération des détails…

Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→