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MCULE-2621089109
Compound
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MCULE-6688479290
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2621089109.sdf |
| SMILES | MCULE-2621089109.smiles |
| Standard InChI | MCULE-2621089109.inchi |
| InChIKey | MCULE-2621089109.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-856004503 | Key Organics | Screening Compounds and Fragments | 90 | As a main component | unavailable |
| P-869080382 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.716 |
| logP | 3.3489 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 107.84 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.0764 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 5 |
| Heteroatoms | 9 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
