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MCULE-1113222985-2
Structure
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- InChIKey:
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- InChI:
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MCULE-3882936780-1
- Component type: Counter Ion
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MCULE-9621124755-0
- Component type: Counter Ion
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MCULE-6395322411-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1113222985-2.sdf |
| SMILES | MCULE-1113222985-2.smiles |
| Standard InChI | MCULE-1113222985-2.inchi |
| InChIKey | MCULE-1113222985-2.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.064 |
| logP | -1.6229 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 77.43 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 22.4693 |
| Atoms | 11 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
