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P-892298885
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| Name | File |
|---|---|
| SDF | P-892298885.sdf |
| SMILES | P-892298885.smiles |
| Standard InChI | P-892298885.inchi |
| InChIKey | P-892298885.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892298885 | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1128.082 |
| logP | 3.1836 |
| H-bond acceptors | 27 |
| H-bond donors | 14 |
| Rotatable bonds | 36 |
| PSA | 469.04 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 266.1296 |
| Atoms | 145 |
| Rings | 3 |
| Heavy atoms | 78 |
| Hydrogen atoms | 67 |
| Heteroatoms | 33 |
| N/O atoms | 27 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 7 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 7 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
