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P-885542509
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| Name | File |
|---|---|
| SDF | P-885542509.sdf |
| SMILES | P-885542509.smiles |
| Standard InChI | P-885542509.inchi |
| InChIKey | P-885542509.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885542509 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 1240.364 |
| logP | 1.554 |
| H-bond acceptors | 32 |
| H-bond donors | 15 |
| Rotatable bonds | 35 |
| PSA | 530.68 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 327.7935 |
| Atoms | 173 |
| Rings | 5 |
| Heavy atoms | 88 |
| Hydrogen atoms | 85 |
| Heteroatoms | 32 |
| N/O atoms | 32 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
