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P-489126454
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| Name | File |
|---|---|
| SDF | P-489126454.sdf |
| SMILES | P-489126454.smiles |
| Standard InChI | P-489126454.inchi |
| InChIKey | P-489126454.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489126454 | 97 | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 227.089 |
| logP | 1.7694 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 97.79 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.7125 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
