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P-885547852
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| Name | File |
|---|---|
| SDF | P-885547852.sdf |
| SMILES | P-885547852.smiles |
| Standard InChI | P-885547852.inchi |
| InChIKey | P-885547852.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885547852 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 441.397 |
| logP | 1.0003 |
| H-bond acceptors | 13 |
| H-bond donors | 6 |
| Rotatable bonds | 10 |
| PSA | 213.28 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 111.9186 |
| Atoms | 51 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 19 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
