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MCULE-2135655431
Compound
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MCULE-1780113657
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2135655431.sdf |
| SMILES | MCULE-2135655431.smiles |
| Standard InChI | MCULE-2135655431.inchi |
| InChIKey | MCULE-2135655431.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-870650829 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-893857785 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 288.146 |
| logP | -2.8655 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 192.61 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 49.5885 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
