SMILES:
CC(C)(C)OC(=O)N[C@H]1C[C@H](OC(=O)c2ccccc2)CN(c2ccncc2[N+](=O)[O-])C1Molecular Processing
Molecular formula
C22H26N4O6
Molecular weight
442.47
Exact mass
442.1852
XLogP
3.32
TPSA
123.9
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
116.52
Supplementary Information
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