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MCULE-6688479290
Compound
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1
MCULE-2621089109
- Component type: Main
-
1
MCULE-6692975244
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6688479290.sdf |
| SMILES | MCULE-6688479290.smiles |
| Standard InChI | MCULE-6688479290.inchi |
| InChIKey | MCULE-6688479290.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-856004503 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-869080382 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 388.906 |
| logP | 2.897 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 73.48 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.5651 |
| Atoms | 43 |
| Rings | 1 |
| Heavy atoms | 23 |
| Hydrogen atoms | 20 |
| Heteroatoms | 10 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
