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P-888855685
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| Name | File |
|---|---|
| SDF | P-888855685.sdf |
| SMILES | P-888855685.smiles |
| Standard InChI | P-888855685.inchi |
| InChIKey | P-888855685.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-888855685 | N/A | in stock |
| Property | Value |
|---|---|
| Components | 9 |
| Mass | 1792.342 |
| logP | 12.6524 |
| H-bond acceptors | 43 |
| H-bond donors | 8 |
| Rotatable bonds | 45 |
| PSA | 629.45 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 422.6454 |
| Atoms | 253 |
| Rings | 2 |
| Heavy atoms | 111 |
| Hydrogen atoms | 142 |
| Heteroatoms | 51 |
| N/O atoms | 43 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
