Synonyms: AMA37 | arylmorpholine analog 37
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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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1
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Rotatable bonds
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3
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Topological polar surface area
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49.77
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Molecular weight
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283.12
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XLogP
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3.53
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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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Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1
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Isomeric SMILES
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Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1
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InChI
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InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2
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InChI Key
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FALILNHGILFDLC-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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