Base information

Cat. No.
CAS No.61586-86-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C32H16N8O12S4Zn
Molecular Weight 898.156
Exact Mass 895.906
XLogP3 2.7719
Mr 214.727
PSA 335.02
Sequence -
Atom number 73
Bond number 82
Ring number 10
Rotor number 4
Residues number 0
Canonical smiles OS(=O)(=O)c1ccc2c(c1)c1/N=C/3\N=C(c4c3ccc(c4)S(=O)(=O)O)/N=c/3\n4[Zn]n1c2/N=C/1\N=C(c2c1cc(cc2)S(=O)(=O)O)/N=c\4/c1c3ccc(c1)S(=O)(=O)O

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