SMILES:
CCCCCCCCCCCCCCCC[n+]1ccccc1.N#Cc1ccc(S(=O)[O-])cc1Molecular Processing
Molecular formula
C28H42N2O2S
Molecular weight
470.72
Exact mass
470.2967
XLogP
7.25
TPSA
67.8
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
16
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.571
Molar refractivity
135.29
Supplementary Information
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