Name: 8
SMILES:
C[C@H](CCC(=O)OCc1ccccc1)O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@H](C)CN=[N+]=[N-])C[C@H]1OMolecular Processing
Molecular formula
C22H31N3O7
Molecular weight
449.5
Exact mass
449.2162
XLogP
3.27
TPSA
140.05
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
114.03
Supplementary Information
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Involved in 2 reactions→