Synonyms: (-)-N-porphynorapomorphine | n-propylapomorphine
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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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2
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Rotatable bonds
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2
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Topological polar surface area
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43.7
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Molecular weight
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295.16
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XLogP
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3.64
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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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CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O
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Isomeric SMILES
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CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O
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InChI
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InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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InChI Key
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BTGAJCKRXPNBFI-OAHLLOKOSA-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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