SMILES:
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(S(=O)(=O)Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)cc(S(=O)(=O)Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)cc3c2)cc(C(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]Molecular Processing
Molecular formula
C34H17N3Na6O18S3
Molecular weight
989.65
Exact mass
988.9055
XLogP
-22.55
TPSA
379.29
H-bond donors
3
H-bond acceptors
18
Rotatable bonds
15
Heavy atoms
64
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
30
Covalent units
7
Fraction Csp3
0
Molar refractivity
181.68
Supplementary Information
Obteniendo detalles…
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