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UNKNOWN STEREO
P-855026515
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| Name | File |
|---|---|
| SDF | P-855026515.sdf |
| SMILES | P-855026515.smiles |
| Standard InChI | P-855026515.inchi |
| InChIKey | P-855026515.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855026515 | Toronto Research | In stock | 90 | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 827.452 |
| logP | 1.1296 |
| H-bond acceptors | 24 |
| H-bond donors | 6 |
| Rotatable bonds | 20 |
| PSA | 433.83 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 171.6084 |
| Atoms | 89 |
| Rings | 3 |
| Heavy atoms | 54 |
| Hydrogen atoms | 35 |
| Heteroatoms | 31 |
| N/O atoms | 24 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
