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Data API HLV
2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
| Created: | 2018-07-12 |
| Last modified: | 2019-04-10 |
Find Related PDB Entry |
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| 2 entries where HLV is found as a standalone ligand |
Chemical Details |
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| Formal Charge | 0 |
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| Atom Count | 30 |
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| Chiral Atom Count | 0 |
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| Bond Count | 32 |
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| Aromatic Bond Count | 15 |
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Toggle HydrogenToggle Labels
Chemical Component Summary |
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| Name | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine |
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| Systematic Name (OpenEye OEToolkits) | 2-dibenzofuran-2-yloxyethanamine |
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| Formula | C14 H13 N O2 |
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| Molecular Weight | 227.259 |
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| Type | NON-POLYMER |
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Chemical Descriptors |
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| Type | Program | Version | Descriptor |
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| SMILES | ACDLabs | 12.01 | c12cc(ccc1oc3c2cccc3)OCCN |
| SMILES | CACTVS | 3.385 | NCCOc1ccc2oc3ccccc3c2c1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c3cc(ccc3o2)OCCN |
| Canonical SMILES | CACTVS | 3.385 | NCCOc1ccc2oc3ccccc3c2c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c3cc(ccc3o2)OCCN |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2 |
| InChIKey | InChI | 1.03 | LFVBNMSDBXKNRO-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|
| PubChem | 24206108 |
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