SMILES:
CCCC[C@H](OCC[C@]1(C(=O)N2CCC(OCOC)CC2)C=CC=CC1)C(=O)OMolecular Processing
Molecular formula
C22H35NO6
Molecular weight
409.52
Exact mass
409.2464
XLogP
3.15
TPSA
85.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
29
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
109.41
Supplementary Information
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