COc1cc(I)c2c(c1O)CNC2=O
SMILES: COc1cc(I)c2c(c1O)CNC2=O

Molecular Processing

Molecular formula
C9H8INO3
Molecular weight
305.07
Exact mass
304.9549
XLogP
1.25
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
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
0.222
Molar refractivity
58.55

Supplementary Information

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