Nombre: N,N-Bis[2-((phenoxycarbonyl)oxy)ethyl]-N,N-dimethylammonium Methylsulfate
SMILES:
COS(=O)(=O)[O-].C[N+](C)(CCOC(=O)Oc1ccccc1)CCOC(=O)Oc1ccccc1Molecular Processing
Molecular formula
C21H27NO10S
Molecular weight
485.51
Exact mass
485.1356
XLogP
2.59
TPSA
137.49
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
115.38
Supplementary Information
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