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P-860649434
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| Name | File |
|---|---|
| SDF | P-860649434.sdf |
| SMILES | P-860649434.smiles |
| Standard InChI | P-860649434.inchi |
| InChIKey | P-860649434.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860649434 | A2B Chem | Predominantly Building Block on demand | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 650.799 |
| logP | 3.72 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 20 |
| PSA | 176.04 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 177.6066 |
| Atoms | 100 |
| Rings | 2 |
| Heavy atoms | 46 |
| Hydrogen atoms | 54 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
