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MCULE-8580059293
Compound
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| Name | File |
|---|---|
| SDF | MCULE-8580059293.sdf |
| SMILES | MCULE-8580059293.smiles |
| Standard InChI | MCULE-8580059293.inchi |
| InChIKey | MCULE-8580059293.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893031930 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-502591753 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-33987198 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 376.314 |
| logP | 3.6849 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 52.93 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.9276 |
| Atoms | 51 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 27 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
