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P-885540789
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| Name | File |
|---|---|
| SDF | P-885540789.sdf |
| SMILES | P-885540789.smiles |
| Standard InChI | P-885540789.inchi |
| InChIKey | P-885540789.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885540789 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 746.982 |
| logP | 6.9814 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 178.62 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 216.9612 |
| Atoms | 102 |
| Rings | 6 |
| Heavy atoms | 52 |
| Hydrogen atoms | 50 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
