SMILES:
CCc1c(I)c(C(C)=O)c(I)c(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)c1IMolecular Processing
Molecular formula
C17H12I3NO5
Molecular weight
691
Exact mass
690.785
XLogP
5.54
TPSA
97.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
123.03
Supplementary Information
Obteniendo detalles…
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