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MCULE-7485706068
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-2224541808
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7485706068.sdf |
| SMILES | MCULE-7485706068.smiles |
| Standard InChI | MCULE-7485706068.inchi |
| InChIKey | MCULE-7485706068.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489166555 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580415291 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-870660410 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-611486009 | Toronto Research | In stock | 90 | As is | in stock |
| P-855006122 | Toronto Research | In stock | 90 | As is | in stock |
| P-855006123 | Toronto Research | In stock | 90 | As is | in stock |
| P-855211994 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.258 |
| logP | 2.2938 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.7134 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
