SMILES:
CCCCCCC1C(=O)OC1CC(CCCC)OC(=O)C(CC(C)C)NC=OMolecular Processing
Molecular formula
C22H39NO5
Molecular weight
397.56
Exact mass
397.2828
XLogP
4.15
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
16
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.864
Molar refractivity
108.59
Supplementary Information
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