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MCULE-1222841438
Compound
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MCULE-3373056737
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1222841438.sdf |
| SMILES | MCULE-1222841438.smiles |
| Standard InChI | MCULE-1222841438.inchi |
| InChIKey | MCULE-1222841438.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893149437 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-870650770 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-870650834 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 262.152 |
| logP | -3.4684 |
| H-bond acceptors | 9 |
| H-bond donors | 7 |
| Rotatable bonds | 7 |
| PSA | 177.72 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 48.8371 |
| Atoms | 31 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
