Base information

Cat. No.
CAS No.115835-54-6
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C12H13N3O2
Molecular Weight 231.251
Exact Mass 231.101
XLogP3 1.9568
Mr 62.8712
PSA 67.87
Sequence -
Atom number 30
Bond number 31
Ring number 2
Rotor number 4
Residues number 0
Canonical smiles CCOC(=O)c1[nH]c(nc1C)c1cccnc1

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