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MCULE-4458713297
Compound
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- InChIKey:
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- InChI:
- Formula:
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MCULE-5956889062
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4458713297.sdf |
| SMILES | MCULE-4458713297.smiles |
| Standard InChI | MCULE-4458713297.inchi |
| InChIKey | MCULE-4458713297.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892955682 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-611615732 | Toronto Research | In stock | 90 | As is | in stock |
| P-855245246 | Toronto Research | In stock | 90 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 373.360 |
| logP | 3.7107 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 108.47 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 103.2363 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
