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P-906905667
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| Name | File |
|---|---|
| SDF | P-906905667.sdf |
| SMILES | P-906905667.smiles |
| Standard InChI | P-906905667.inchi |
| InChIKey | P-906905667.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906905667 | 97 | in stock |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 406.061 |
| logP | -1.6712 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 231.55 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 52.9977 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 23 |
| Hydrogen atoms | 11 |
| Heteroatoms | 17 |
| N/O atoms | 12 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
