O=[N+]([O-])c1ccc(NCCSSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
Nombre: N,N'-bis-(2,4-dinitrophenyl) cystamine
SMILES: O=[N+]([O-])c1ccc(NCCSSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C16H16N6O8S2
Molecular weight
484.47
Exact mass
484.0471
XLogP
4.22
TPSA
196.62
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
121.4

Supplementary Information

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