O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCNCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2cccc(n2)C1
SMILES: O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCNCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])Cc2cccc(n2)C1

Molecular Processing

Molecular formula
C24H26N6O8S2
Molecular weight
590.64
Exact mass
590.1254
XLogP
2.27
TPSA
185.96
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
143.11

Supplementary Information

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