Nombre: cetyl pyridinium chloride
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]Molecular Processing
Molecular formula
C21H38ClN
Molecular weight
339.99
Exact mass
339.2693
XLogP
3.46
TPSA
3.88
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
15
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.762
Molar refractivity
96.95
Supplementary Information
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