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MCULE-6539500848
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6539500848.sdf |
| SMILES | MCULE-6539500848.smiles |
| Standard InChI | MCULE-6539500848.inchi |
| InChIKey | MCULE-6539500848.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489194184 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-895458177 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 328.747 |
| logP | 2.5923 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 67.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 93.9487 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
