الاسم: 3-{6-iodo-3-[6-(4-methoxyphenyl)-(5E)-5-hexenyloxy]-2-pyridyl}-propionic acid methyl ester
SMILES:
COC(=O)CCc1nc(I)ccc1OCCCC/C=C/c1ccc(OC)cc1Molecular Processing
Molecular formula
C22H26INO4
Molecular weight
495.36
Exact mass
495.0907
XLogP
5.06
TPSA
57.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
118.67
Supplementary Information
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