Base information

Cat. No.
CAS No.552846-23-8
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C9H8N4O
Molecular Weight 188.186
Exact Mass 188.07
XLogP3 1.0693
Mr 49.8082
PSA 71.53
Sequence -
Atom number 22
Bond number 23
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles CC(=O)c1ccc(cc1)c1n[nH]nn1

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