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P-885559388
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| Name | File |
|---|---|
| SDF | P-885559388.sdf |
| SMILES | P-885559388.smiles |
| Standard InChI | P-885559388.inchi |
| InChIKey | P-885559388.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885559388 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1512.632 |
| logP | -1.8904 |
| H-bond acceptors | 42 |
| H-bond donors | 21 |
| Rotatable bonds | 41 |
| PSA | 794.66 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 348.2215 |
| Atoms | 186 |
| Rings | 6 |
| Heavy atoms | 101 |
| Hydrogen atoms | 85 |
| Heteroatoms | 46 |
| N/O atoms | 42 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 19 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 19 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
