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MCULE-2823469702
Compound
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MCULE-8453777563
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2823469702.sdf |
| SMILES | MCULE-2823469702.smiles |
| Standard InChI | MCULE-2823469702.inchi |
| InChIKey | MCULE-2823469702.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489243139 | 97 | As a main component | in stock |
| P-1267046704 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1069.222 |
| logP | 1.5235 |
| H-bond acceptors | 26 |
| H-bond donors | 13 |
| Rotatable bonds | 22 |
| PSA | 488.51 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 292.9229 |
| Atoms | 138 |
| Rings | 4 |
| Heavy atoms | 74 |
| Hydrogen atoms | 64 |
| Heteroatoms | 28 |
| N/O atoms | 26 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
