Name: ethyl 2-(4-iodo-2-oxopyridin-1(2H)-yl)hexanoate
SMILES:
CCCCC(C(=O)OCC)n1ccc(I)cc1=OMolecular Processing
Molecular formula
C13H18INO3
Molecular weight
363.19
Exact mass
363.0331
XLogP
2.75
TPSA
48.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
78.61
Supplementary Information
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