CCN1C(=O)C2CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=O
Nom: 3-ethyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
SMILES: CCN1C(=O)C2CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=O

Molecular Processing

Molecular formula
C14H14N2O4
Molecular weight
274.28
Exact mass
274.0954
XLogP
1.63
TPSA
80.52
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.89

Supplementary Information

Récupération des détails…

Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→