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P-869122987
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- InChI:
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| Name | File |
|---|---|
| SDF | P-869122987.sdf |
| SMILES | P-869122987.smiles |
| Standard InChI | P-869122987.inchi |
| InChIKey | P-869122987.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869122987 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 638.801 |
| logP | 4.8415 |
| H-bond acceptors | 11 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 100.76 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 198.2512 |
| Atoms | 93 |
| Rings | 7 |
| Heavy atoms | 47 |
| Hydrogen atoms | 46 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
