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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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1
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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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12.36
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Molecular weight
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193.09
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XLogP
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3.11
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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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c1ccc2c(c1)Cc1ccccc1C=N2
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Isomeric SMILES
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c1ccc2c(c1)Cc1ccccc1C=N2
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InChI
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InChI=1S/C14H11N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,10H,9H2
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InChI Key
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IDWNSAXOQLJYOF-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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