SMILES:
CC(C)(C)OC(=O)NCCOCCOc1ncccc1OCCOC1CCCCO1Molecular Processing
Molecular formula
C21H34N2O7
Molecular weight
426.51
Exact mass
426.2366
XLogP
2.92
TPSA
97.37
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
109.83
Supplementary Information
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