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P-899991126
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| Name | File |
|---|---|
| SDF | P-899991126.sdf |
| SMILES | P-899991126.smiles |
| Standard InChI | P-899991126.inchi |
| InChIKey | P-899991126.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899991126 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 402.399 |
| logP | -0.0568 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 133.3 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 96.3127 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 19 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
