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P-899990488
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| Name | File |
|---|---|
| SDF | P-899990488.sdf |
| SMILES | P-899990488.smiles |
| Standard InChI | P-899990488.inchi |
| InChIKey | P-899990488.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899990488 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 541.229 |
| logP | 7.6313 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 75.81 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 154.6694 |
| Atoms | 85 |
| Rings | 6 |
| Heavy atoms | 36 |
| Hydrogen atoms | 49 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 11 |
| R/S chiral centers | 11 |
| 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 |
