Synonyms: HMS3229G08
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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4
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Hydrogen bond donors
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2
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Rotatable bonds
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2
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Topological polar surface area
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91.73
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Molecular weight
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328.11
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XLogP
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3.61
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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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O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1
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Isomeric SMILES
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O=c1[nH][nH]c2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1
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InChI
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InChI=1S/C18H12N6O/c25-18-12-10-13(19-20-17(12)21-22-18)15-14-8-4-5-9-24(14)23-16(15)11-6-2-1-3-7-11/h1-10H,(H2,20,21,22,25)
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InChI Key
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QMBDONCHHMIWFJ-UHFFFAOYSA-N
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