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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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3
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Hydrogen bond donors
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2
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Rotatable bonds
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1
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Topological polar surface area
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132.65
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Molecular weight
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232.02
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XLogP
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1.53
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
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Isomeric SMILES
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N#Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]
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InChI
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InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15)
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InChI Key
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RPXVIAFEQBNEAX-UHFFFAOYSA-N
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