名称: 2-chloro-1-methylpyridinium p-toluenesulfonate
SMILES:
C[n+]1ccccc1Cl.Cc1ccc(S(=O)(=O)[O-])cc1Molecular Processing
Molecular formula
C13H14ClNO3S
Molecular weight
299.78
Exact mass
299.0383
XLogP
2.06
TPSA
61.08
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.154
Molar refractivity
71.77
Supplementary Information
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