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P-885541222
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| Name | File |
|---|---|
| SDF | P-885541222.sdf |
| SMILES | P-885541222.smiles |
| Standard InChI | P-885541222.inchi |
| InChIKey | P-885541222.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885541222 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 685.892 |
| logP | 3.4217 |
| H-bond acceptors | 14 |
| H-bond donors | 8 |
| Rotatable bonds | 27 |
| PSA | 223.26 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 184.6559 |
| Atoms | 111 |
| Rings | 0 |
| Heavy atoms | 48 |
| Hydrogen atoms | 63 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 7 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
