CCCN1C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=O
Nombre: 1,5-di-(4-nitrophenyl)-3-n-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione
SMILES: CCCN1C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=O

Molecular Processing

Molecular formula
C21H19N3O6
Molecular weight
409.4
Exact mass
409.1274
XLogP
3.25
TPSA
123.66
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
105.79

Supplementary Information

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