Synonyms: N1-Methyl-1,9-pyrazoloanthrone
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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0
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Rotatable bonds
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0
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Topological polar surface area
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34.89
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Molecular weight
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234.08
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XLogP
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3.91
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No. Lipinski's rules broken
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0
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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O=c1c2ccccc2c2c3c1cccc3n(n2)C
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Isomeric SMILES
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O=c1c2ccccc2c2c3c1cccc3n(n2)C
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InChI
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InChI=1S/C15H10N2O/c1-17-12-8-4-7-11-13(12)14(16-17)9-5-2-3-6-10(9)15(11)18/h2-8H,1H3
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InChI Key
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ODZGYELAMAOARP-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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