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MCULE-4886326803
Compound
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1
MCULE-3185782563
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4886326803.sdf |
| SMILES | MCULE-4886326803.smiles |
| Standard InChI | MCULE-4886326803.inchi |
| InChIKey | MCULE-4886326803.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-502580606 | 95 | As is | by synthesis |
| P-33274486 | 90 | As is | in stock |
| P-489137516 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 211.642 |
| logP | 1.4015 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 100.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 48.979 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
