SMILES:
O=S(=O)(O)c1c(S(=O)(=O)O)c2[nH]c1cc1nc(cc3ccc(cc4nc(c2S(=O)(=O)O)C=C4)[nH]3)-c2ncccc2-1.[NH4+].[NH4+].[NH4+]Molecular Processing
Molecular formula
C23H27N8O9S3+3
Molecular weight
655.72
Exact mass
655.1047
XLogP
4.08
TPSA
342.86
H-bond donors
8
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
3
Heteroatoms
20
Covalent units
4
Fraction Csp3
0
Molar refractivity
159.55
Supplementary Information
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