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P-885540822
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| Name | File |
|---|---|
| SDF | P-885540822.sdf |
| SMILES | P-885540822.smiles |
| Standard InChI | P-885540822.inchi |
| InChIKey | P-885540822.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885540822 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 400.636 |
| logP | 6.7339 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 40.46 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 126.2406 |
| Atoms | 73 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 44 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
