Base information

Cat. No.
CAS No.55981-09-4
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C12H9N3O5S
Molecular Weight 307.282
Exact Mass 307.026
XLogP3 2.8251
Mr 76.6492
PSA 142.35
Sequence -
Atom number 30
Bond number 31
Ring number 2
Rotor number 6
Residues number 0
Canonical smiles CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+](=O)[O-]

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