SMILES:
COc1ccc(CCC2(C3CCCC3)CC(=O)C(Cl)C(=O)O2)cc1ClMolecular Processing
Molecular formula
C19H22Cl2O4
Molecular weight
385.29
Exact mass
384.0895
XLogP
4.33
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
96.37
Supplementary Information
Récupération des détails…
Impliqué dans 57 réactions→