Nom: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinonitrile
SMILES:
CCCc1c(OCc2cccc(Oc3ccc(C#N)cn3)c2)ccc(C(C)=O)c1OMolecular Processing
Molecular formula
C24H22N2O4
Molecular weight
402.45
Exact mass
402.158
XLogP
5.19
TPSA
92.44
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
111.91
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→