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MCULE-3875128573
Compound
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1
MCULE-4957146052
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3875128573.sdf |
| SMILES | MCULE-3875128573.smiles |
| Standard InChI | MCULE-3875128573.inchi |
| InChIKey | MCULE-3875128573.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-9419398 | ChemDiv | Discovery Chemistry Library | 90 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 406.926 |
| logP | 4.2544 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 86.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 113.1062 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
