Base information

Cat. No.
CAS No.380605-28-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H9N3O2
Molecular Weight 179.176
Exact Mass 179.069
XLogP3 2.1603
Mr 49.8647
PSA 70.74
Sequence -
Atom number 22
Bond number 23
Ring number 2
Rotor number 3
Residues number 0
Canonical smiles [O-][N+](=O)c1cnccc1NC1CC1

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