Nombre: ( 4 )
SMILES:
O=[N+]([O-])c1ccc(N2CCC(n3cc[n+](CCCn4cc[n+](C5CCN(c6ccc([N+](=O)[O-])cc6)C5)c4)c3)C2)cc1.[Br-].[Br-]Molecular Processing
Molecular formula
C29H34Br2N8O4
Molecular weight
718.45
Exact mass
716.107
XLogP
-2.32
TPSA
110.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.379
Molar refractivity
151.8
Supplementary Information
Obteniendo detalles…
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