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UNKNOWN STEREO
P-500411478
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| Name | File |
|---|---|
| SDF | P-500411478.sdf |
| SMILES | P-500411478.smiles |
| Standard InChI | P-500411478.inchi |
| InChIKey | P-500411478.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500411478 | Pi Chemicals | Virtual Compounds | N/A | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 455.470 |
| logP | 0.2875 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 227.05 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 109.8969 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
