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MCULE-4907197421
Compound
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1
MCULE-1477366367
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4907197421.sdf |
| SMILES | MCULE-4907197421.smiles |
| Standard InChI | MCULE-4907197421.inchi |
| InChIKey | MCULE-4907197421.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-611398572 | Toronto Research | In stock | 90 | As is | in stock |
| P-895408098 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 323.641 |
| logP | 2.9008 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 23.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 88.729 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
