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P-580294582
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| Name | File |
|---|---|
| SDF | P-580294582.sdf |
| SMILES | P-580294582.smiles |
| Standard InChI | P-580294582.inchi |
| InChIKey | P-580294582.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580294582 | Debye Scientific | General Catalog | 95 | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 222.065 |
| logP | 2.9267 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.6692 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
