Name: title compound
SMILES:
O=C=NC(=O)c1ccc(I)cc1Molecular Processing
Molecular formula
C8H4INO2
Molecular weight
273.03
Exact mass
272.9287
XLogP
1.77
TPSA
46.5
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.61
Supplementary Information
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