Base information

Cat. No.
CAS No.64557-97-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H12N4O3
Molecular Weight 272.259
Exact Mass 272.091
XLogP3 2.03958
Mr 73.5972
PSA 103.81
Sequence -
Atom number 32
Bond number 33
Ring number 2
Rotor number 4
Residues number 0
Canonical smiles N#CCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2

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