Base information

Cat. No.
CAS No.111079-41-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C5H5IN2O
Molecular Weight 236.01
Exact Mass 235.945
XLogP3 0.6829
Mr 42.5407
PSA 45.75
Sequence -
Atom number 14
Bond number 14
Ring number 1
Rotor number 0
Residues number 0
Canonical smiles Cc1ncc(c(=O)[nH]1)I

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