CCn1nc(-c2cccc(Cl)c2)c(C(C)=O)c([N+](=O)[O-])c1=O
Nom: 5-acetyl-2-ethyl-4-nitro-6-(3-chlorophenyl)pyridazin-3(2H)-one
SMILES: CCn1nc(-c2cccc(Cl)c2)c(C(C)=O)c([N+](=O)[O-])c1=O

Molecular Processing

Molecular formula
C14H12ClN3O4
Molecular weight
321.72
Exact mass
321.0516
XLogP
2.69
TPSA
95.1
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
81.28

Supplementary Information

Récupération des détails…

Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→