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P-893941439
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| Name | File |
|---|---|
| SDF | P-893941439.sdf |
| SMILES | P-893941439.smiles |
| Standard InChI | P-893941439.inchi |
| InChIKey | P-893941439.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893941439 | 95 | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1198.260 |
| logP | 1.7943 |
| H-bond acceptors | 29 |
| H-bond donors | 15 |
| Rotatable bonds | 23 |
| PSA | 551.83 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 309.3211 |
| Atoms | 148 |
| Rings | 4 |
| Heavy atoms | 82 |
| Hydrogen atoms | 66 |
| Heteroatoms | 34 |
| N/O atoms | 29 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 8 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
