Название: 6-amino-hexanoic acid benzyl ester toluene-4-sulfonic acid
SMILES:
Cc1ccc(S(=O)(=O)O)cc1.NCCCCCC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C20H27NO5S
Molecular weight
393.51
Exact mass
393.161
XLogP
3.49
TPSA
106.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.35
Molar refractivity
104.75
Supplementary Information
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