Cc1cn(CC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)O)c(=O)[nH]c1=O
SMILES: Cc1cn(CC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC(=O)O)c(=O)[nH]c1=O

Molecular Processing

Molecular formula
C17H19N5O9S
Molecular weight
469.43
Exact mass
469.0903
XLogP
-1.36
TPSA
201.78
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
32
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
108.56

Supplementary Information

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