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MCULE-8078189818-0
Structure
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- InChI:
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| Name | File |
|---|---|
| SDF | MCULE-8078189818-0.sdf |
| SMILES | MCULE-8078189818-0.smiles |
| Standard InChI | MCULE-8078189818-0.inchi |
| InChIKey | MCULE-8078189818-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-861480393 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-33209430 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-611519076 | Toronto Research | In stock | 90 | As is | in stock |
| P-855346745 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 973.665 |
| logP | 8.6978 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 75.99 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 159.6515 |
| Atoms | 37 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 4 |
| Heteroatoms | 13 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 8 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
