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P-885541251
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| Name | File |
|---|---|
| SDF | P-885541251.sdf |
| SMILES | P-885541251.smiles |
| Standard InChI | P-885541251.inchi |
| InChIKey | P-885541251.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885541251 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 4541.067 |
| logP | 5.6547 |
| H-bond acceptors | 114 |
| H-bond donors | 63 |
| Rotatable bonds | 186 |
| PSA | 1861.55 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 1168.402 |
| Atoms | 630 |
| Rings | 12 |
| Heavy atoms | 322 |
| Hydrogen atoms | 308 |
| Heteroatoms | 115 |
| N/O atoms | 114 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 36 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 36 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
