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MCULE-8516322862
Compound
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- InChIKey:
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- InChI:
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1
MCULE-4495871807
- Component type: Main
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1
MCULE-5932450224
- Component type: Counter Ion
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1
MCULE-2361956978
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8516322862.sdf |
| SMILES | MCULE-8516322862.smiles |
| Standard InChI | MCULE-8516322862.inchi |
| InChIKey | MCULE-8516322862.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 227.078 |
| logP | 3.0845 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.1497 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 1 |
| Inorganic atoms | 1 |
| Halogen atoms | 3 |
| 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 |
