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P-906891891
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| Name | File |
|---|---|
| SDF | P-906891891.sdf |
| SMILES | P-906891891.smiles |
| Standard InChI | P-906891891.inchi |
| InChIKey | P-906891891.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906891891 | 98 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 552.574 |
| logP | 2.4368 |
| H-bond acceptors | 14 |
| H-bond donors | 6 |
| Rotatable bonds | 11 |
| PSA | 228.47 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 146.1588 |
| Atoms | 75 |
| Rings | 3 |
| Heavy atoms | 39 |
| Hydrogen atoms | 36 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 2 |
| 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 |
