Name: 1-methyl-3-(methyl-phenyl-carbamoyl)-3H-imidazol-1-ium iodide
SMILES:
CN(C(=O)n1cc[n+](C)c1)c1ccccc1.[I-]Molecular Processing
Molecular formula
C12H14IN3O
Molecular weight
343.17
Exact mass
343.0182
XLogP
-1.58
TPSA
29.12
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
61.25
Supplementary Information
Details werden geladen…
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