Synonyms: 5-methoxyluzindole
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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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2
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Rotatable bonds
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7
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Topological polar surface area
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54.12
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Molecular weight
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322.17
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XLogP
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3.37
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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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COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1
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Isomeric SMILES
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COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)Cc1ccccc1
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InChI
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InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)
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InChI Key
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MUQOTEHRXIKHKR-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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