[N-]=[N+]=NCCOCCOCCOCCONC(=O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2
名称: product
SMILES: [N-]=[N+]=NCCOCCOCCOCCONC(=O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c1cc(C(=O)O)[nH]c1-2

Molecular Processing

Molecular formula
C22H22N6O11
Molecular weight
546.45
Exact mass
546.1347
XLogP
0.87
TPSA
252.2
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
16
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
126.49

Supplementary Information

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