O=[N+]([O-])c1cccc(-c2n[nH]cc2I)c1
SMILES: O=[N+]([O-])c1cccc(-c2n[nH]cc2I)c1

Molecular Processing

Molecular formula
C9H6IN3O2
Molecular weight
315.07
Exact mass
314.9505
XLogP
2.59
TPSA
71.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
63.4

Supplementary Information

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