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P-886952004
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| Name | File |
|---|---|
| SDF | P-886952004.sdf |
| SMILES | P-886952004.smiles |
| Standard InChI | P-886952004.inchi |
| InChIKey | P-886952004.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886952004 | eNovation Chemicals LLC | Building Block on demand | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 563.607 |
| logP | 6.8926 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 14 |
| PSA | 107.97 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 145.2877 |
| Atoms | 76 |
| Rings | 3 |
| Heavy atoms | 40 |
| Hydrogen atoms | 36 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
