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P-904320147
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| Name | File |
|---|---|
| SDF | P-904320147.sdf |
| SMILES | P-904320147.smiles |
| Standard InChI | P-904320147.inchi |
| InChIKey | P-904320147.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904320147 | 90 | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 734.703 |
| logP | 5.3039 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 4 |
| PSA | 121.65 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 202.0823 |
| Atoms | 96 |
| Rings | 13 |
| Heavy atoms | 51 |
| Hydrogen atoms | 45 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
