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P-861286652
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| Name | File |
|---|---|
| SDF | P-861286652.sdf |
| SMILES | P-861286652.smiles |
| Standard InChI | P-861286652.inchi |
| InChIKey | P-861286652.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-861286652 | 98 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 525.078 |
| logP | 4.6906 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 15 |
| PSA | 101.16 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 143.1721 |
| Atoms | 77 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 41 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
