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MCULE-4870674507
Compound
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| Name | File |
|---|---|
| SDF | MCULE-4870674507.sdf |
| SMILES | MCULE-4870674507.smiles |
| Standard InChI | MCULE-4870674507.inchi |
| InChIKey | MCULE-4870674507.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489108508 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580444035 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-870659858 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-500401439 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-611360696 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 296.323 |
| logP | 1.2867 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 61.82 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 86.615 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
