名称: 4-(6-piperidinohexyl)-3,5-dioxomorpholine p-toluenesulfonate
SMILES:
Cc1ccc(S(=O)(=O)O)cc1.O=C1COCC(=O)N1CCCCCCN1CCCCC1Molecular Processing
Molecular formula
C22H34N2O6S
Molecular weight
454.59
Exact mass
454.2138
XLogP
2.66
TPSA
104.22
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.636
Molar refractivity
117.29
Supplementary Information
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