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MCULE-8579090557
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7692075354
- Component type: Main
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3
MCULE-5396813937
- Component type: Counter Ion
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1
MCULE-7981253226
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8579090557.sdf |
| SMILES | MCULE-8579090557.smiles |
| Standard InChI | MCULE-8579090557.inchi |
| InChIKey | MCULE-8579090557.txt |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 614.504 |
| logP | -11.1187 |
| H-bond acceptors | 18 |
| H-bond donors | 3 |
| Rotatable bonds | 15 |
| PSA | 344.84 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 85.5734 |
| Atoms | 51 |
| Rings | 0 |
| Heavy atoms | 37 |
| Hydrogen atoms | 14 |
| Heteroatoms | 21 |
| N/O atoms | 18 |
| Inorganic atoms | 3 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
