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MCULE-8278083339
Compound
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| Name | File |
|---|---|
| SDF | MCULE-8278083339.sdf |
| SMILES | MCULE-8278083339.smiles |
| Standard InChI | MCULE-8278083339.inchi |
| InChIKey | MCULE-8278083339.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489176502 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-861285599 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-870654535 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505511949 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.645 |
| logP | -2.1985 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 124.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.2791 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
