SMILES:
COC=C1C(=O)NC(=O)c2ccc(I)cc21Molecular Processing
Molecular formula
C11H8INO3
Molecular weight
329.09
Exact mass
328.9549
XLogP
1.55
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
66.62
Supplementary Information
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