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MCULE-5798818948
Compound
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MCULE-5441393959
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5798818948.sdf |
| SMILES | MCULE-5798818948.smiles |
| Standard InChI | MCULE-5798818948.inchi |
| InChIKey | MCULE-5798818948.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852533409 | Matrix Scientific | All | N/A | As is | in stock |
| P-502327362 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22453150 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-870653861 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 305.181 |
| logP | -0.8192 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 155.94 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.4055 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
