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P-894008954
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| Name | File |
|---|---|
| SDF | P-894008954.sdf |
| SMILES | P-894008954.smiles |
| Standard InChI | P-894008954.inchi |
| InChIKey | P-894008954.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-894008954 | eNovation Chemicals LLC | Building Blocks in stock | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1002.573 |
| logP | 7.6323 |
| H-bond acceptors | 19 |
| H-bond donors | 5 |
| Rotatable bonds | 23 |
| PSA | 247.97 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 275.7645 |
| Atoms | 130 |
| Rings | 7 |
| Heavy atoms | 70 |
| Hydrogen atoms | 60 |
| Heteroatoms | 21 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
