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P-854702881
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| Name | File |
|---|---|
| SDF | P-854702881.sdf |
| SMILES | P-854702881.smiles |
| Standard InChI | P-854702881.inchi |
| InChIKey | P-854702881.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-854702881 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 619.593 |
| logP | -3.0378 |
| H-bond acceptors | 15 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 326.79 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 127.2831 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 15 |
| Heteroatoms | 21 |
| N/O atoms | 15 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
