CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C(Br)C(O)C4(C)C3C2C)C(Br)C1
SMILES: CC1COC2(OC3CC4C5CCC6CC(O)CCC6(C)C5C(Br)C(O)C4(C)C3C2C)C(Br)C1

Molecular Processing

Molecular formula
C27H42Br2O4
Molecular weight
590.44
Exact mass
588.145
XLogP
5.51
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
33
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
15
Undefined stereo
15
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
1
Molar refractivity
135.31

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→