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MCULE-5737722395
Compound
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MCULE-1662589784
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5737722395.sdf |
| SMILES | MCULE-5737722395.smiles |
| Standard InChI | MCULE-5737722395.inchi |
| InChIKey | MCULE-5737722395.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489131851 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-887185388 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 505.209 |
| logP | -0.9369 |
| H-bond acceptors | 17 |
| H-bond donors | 7 |
| Rotatable bonds | 8 |
| PSA | 299.33 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 99.1267 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 18 |
| Heteroatoms | 20 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
