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P-893866208
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| Name | File |
|---|---|
| SDF | P-893866208.sdf |
| SMILES | P-893866208.smiles |
| Standard InChI | P-893866208.inchi |
| InChIKey | P-893866208.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893866208 | eNovation Chemicals LLC | Building Block on demand | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 512.328 |
| logP | -0.5549 |
| H-bond acceptors | 11 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 179.37 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 111.8408 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 14 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
