CCOC(=O)c1ccc(I)c(N)c1
SMILES: CCOC(=O)c1ccc(I)c(N)c1

Molecular Processing

Molecular formula
C9H10INO2
Molecular weight
291.09
Exact mass
290.9756
XLogP
2.05
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
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
0.222
Molar refractivity
59.53

Supplementary Information

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