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P-580050217
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| Name | File |
|---|---|
| SDF | P-580050217.sdf |
| SMILES | P-580050217.smiles |
| Standard InChI | P-580050217.inchi |
| InChIKey | P-580050217.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580050217 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 216.165 |
| logP | 0.1639 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 69.59 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.6845 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
