CCOC(=O)CN(CCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1)C(=O)Cn1cc(C)c(=O)[nH]c1=O
SMILES: CCOC(=O)CN(CCNS(=O)(=O)c1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])s1)C(=O)Cn1cc(C)c(=O)[nH]c1=O

Molecular Processing

Molecular formula
C21H22ClN7O9S2
Molecular weight
616.03
Exact mass
615.0609
XLogP
0.3
TPSA
216.56
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
40
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
141.47

Supplementary Information

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