이름: 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-iodo-1H-imidazole-4-carbonitrile
SMILES:
CCOCc1nc(C#N)c(I)n1CC(C)(C)OMolecular Processing
Molecular formula
C11H16IN3O2
Molecular weight
349.17
Exact mass
349.0287
XLogP
1.67
TPSA
71.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
71.29
Supplementary Information
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