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P-889868017
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| Name | File |
|---|---|
| SDF | P-889868017.sdf |
| SMILES | P-889868017.smiles |
| Standard InChI | P-889868017.inchi |
| InChIKey | P-889868017.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-889868017 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 7 |
| Mass | 1441.565 |
| logP | 1.504 |
| H-bond acceptors | 44 |
| H-bond donors | 26 |
| Rotatable bonds | 16 |
| PSA | 814.36 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 306.776 |
| Atoms | 183 |
| Rings | 6 |
| Heavy atoms | 91 |
| Hydrogen atoms | 92 |
| Heteroatoms | 49 |
| N/O atoms | 44 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 11 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
