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P-861287000
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| Name | File |
|---|---|
| SDF | P-861287000.sdf |
| SMILES | P-861287000.smiles |
| Standard InChI | P-861287000.inchi |
| InChIKey | P-861287000.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-861287000 | 98 | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 431.396 |
| logP | 5.2342 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 70.39 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 119.8722 |
| Atoms | 60 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 32 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
