Base information

Cat. No.
CAS No.221289-88-9
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C8H5N3O
Molecular Weight 159.145
Exact Mass 159.043
XLogP3 0.72788
Mr 43.6344
PSA 72.44
Sequence -
Atom number 17
Bond number 18
Ring number 2
Rotor number 0
Residues number 0
Canonical smiles N#Cc1ccc2c(c1)[nH]c(=O)[nH]2

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