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P-855052647
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| Name | File |
|---|---|
| SDF | P-855052647.sdf |
| SMILES | P-855052647.smiles |
| Standard InChI | P-855052647.inchi |
| InChIKey | P-855052647.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-855052647 | 90 | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 530.638 |
| logP | 3.7437 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 152.92 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 142.9801 |
| Atoms | 71 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 34 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
