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MCULE-2543978757-0
Structure
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MCULE-7769468267-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2543978757-0.sdf |
| SMILES | MCULE-2543978757-0.smiles |
| Standard InChI | MCULE-2543978757-0.inchi |
| InChIKey | MCULE-2543978757-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893394574 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-893394573 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.224 |
| logP | -0.2888 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 75.43 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 51.1761 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
