Name: 1-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropyl-carbamoyl)-3-methyl-1H-imidazol-3-ium iodide
SMILES:
C=C[C@@H]1C[C@]1(NC(=O)n1cc[n+](C)c1)C(=O)OCC.[I-]Molecular Processing
Molecular formula
C13H18IN3O3
Molecular weight
391.21
Exact mass
391.0393
XLogP
-2.62
TPSA
64.21
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.462
Molar refractivity
67.21
Supplementary Information
Details werden geladen…
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