SMILES:
O=[N+]([O-])c1cn2c(n1)OCC(COc1ccc(I)cc1)C2Molecular Processing
Molecular formula
C13H12IN3O4
Molecular weight
401.16
Exact mass
400.9873
XLogP
2.48
TPSA
79.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
82.52
Supplementary Information
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