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MCULE-6576136000
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-7133808223
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6576136000.sdf |
| SMILES | MCULE-6576136000.smiles |
| Standard InChI | MCULE-6576136000.inchi |
| InChIKey | MCULE-6576136000.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611506154 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855020028 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855020029 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.342 |
| logP | 2.8004 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 38.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 81.0455 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
