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P-906775393
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| Name | File |
|---|---|
| SDF | P-906775393.sdf |
| SMILES | P-906775393.smiles |
| Standard InChI | P-906775393.inchi |
| InChIKey | P-906775393.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906775393 | 98 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 686.861 |
| logP | 6.633 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 155.7 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 200.7072 |
| Atoms | 95 |
| Rings | 8 |
| Heavy atoms | 49 |
| Hydrogen atoms | 46 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
