Name: 1-phenacylpyridinium bromide
SMILES:
O=C(C[n+]1ccccc1)c1ccccc1.[Br-]Molecular Processing
Molecular formula
C13H12BrNO
Molecular weight
278.15
Exact mass
277.0102
XLogP
-1.14
TPSA
20.95
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.077
Molar refractivity
57.41
Supplementary Information
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