이름: N-amino-2-(1-butynyl)pyridinium mesitylenesulfonate
SMILES:
CCC#Cc1cccc[n+]1N.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1Molecular Processing
Molecular formula
C18H22N2O3S
Molecular weight
346.45
Exact mass
346.1351
XLogP
1.97
TPSA
87.1
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
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
0.278
Molar refractivity
92.57
Supplementary Information
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