Nom: 3-(2,6-Dichloro-4-methoxybenzyl)-1-(4-oxocyclohexyl)-pyrrolidin-2-one
SMILES:
COc1cc(Cl)c(CC2CCN(C3CCC(=O)CC3)C2=O)c(Cl)c1Molecular Processing
Molecular formula
C18H21Cl2NO3
Molecular weight
370.28
Exact mass
369.0898
XLogP
3.9
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
93.8
Supplementary Information
Récupération des détails…
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