CC(C)C12C=CC(C1)CC2(C(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C=CC(=O)O1
SMILES: CC(C)C12C=CC(C1)CC2(C(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1C=CC(=O)O1

Molecular Processing

Molecular formula
C25H31O5-
Molecular weight
411.52
Exact mass
411.2177
XLogP
3.19
TPSA
83.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
7
Aromatic rings
0
Saturated rings
5
Aliphatic rings
7
Stereo centers
3
Undefined stereo
3
Formal charge
-1
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.72
Molar refractivity
107.42

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→