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MCULE-5846224439-1
Structure
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MCULE-1860095735-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5846224439-1.sdf |
| SMILES | MCULE-5846224439-1.smiles |
| Standard InChI | MCULE-5846224439-1.inchi |
| InChIKey | MCULE-5846224439-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870651584 | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 290.246 |
| logP | -4.0104 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 159.38 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 60.9664 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 16 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
