Base information

Cat. No.
CAS No.69458-20-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C63H69N8O3S+++
Molecular Weight 1018.34
Exact Mass 1017.52
XLogP3 9.6329
Mr 320.429
PSA 121.88
Sequence -
Atom number 144
Bond number 152
Ring number 10
Rotor number 9
Residues number 0
Canonical smiles C[N+](c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1)[N+](C)(C)C)/C=C3)\c1ccc(cc1)[N+](C)(C)C)/[nH]2)/c1ccc(cc1)[N+](C)(C)C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]

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