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P-869126800
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| Name | File |
|---|---|
| SDF | P-869126800.sdf |
| SMILES | P-869126800.smiles |
| Standard InChI | P-869126800.inchi |
| InChIKey | P-869126800.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869126800 | TargetMol | Screening Compounds - synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 7 |
| Mass | 1429.183 |
| logP | 11.6104 |
| H-bond acceptors | 29 |
| H-bond donors | 6 |
| Rotatable bonds | 22 |
| PSA | 551.01 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 295.0086 |
| Atoms | 126 |
| Rings | 8 |
| Heavy atoms | 92 |
| Hydrogen atoms | 34 |
| Heteroatoms | 41 |
| N/O atoms | 29 |
| Inorganic atoms | 6 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
