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UNKNOWN STEREO
MCULE-4669556046
Compound
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- InChI:
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1
MCULE-9373156508
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4669556046.sdf |
| SMILES | MCULE-4669556046.smiles |
| Standard InChI | MCULE-4669556046.inchi |
| InChIKey | MCULE-4669556046.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 394.226 |
| logP | 1.2765 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 98.02 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 100.1044 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
