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MCULE-4998414870
Compound
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1
MCULE-7807738555
- Component type: Main
-
1
MCULE-5646000632
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4998414870.sdf |
| SMILES | MCULE-4998414870.smiles |
| Standard InChI | MCULE-4998414870.inchi |
| InChIKey | MCULE-4998414870.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867503616 | N/A | As is | by synthesis |
| P-870650795 | N/A | As is | in stock |
| P-893137541 | N/A | Main component | by synthesis |
| P-852090569 | N/A | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 437.126 |
| logP | -2.6692 |
| H-bond acceptors | 16 |
| H-bond donors | 9 |
| Rotatable bonds | 6 |
| PSA | 293.23 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 72.9962 |
| Atoms | 43 |
| Rings | 1 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 19 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 6 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
