MCULE-3169739755-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-5807049826-0
- Component type: Counter Ion
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MCULE-6867351516-0
- Component type: Counter Ion
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MCULE-4775878719-0
- Component type: Counter Ion
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MCULE-4650856588-0
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MCULE-9983736231-0
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MCULE-6252546399-0
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MCULE-2702100882-1
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MCULE-6249862699-0
- Component type: Counter Ion
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MCULE-8536104776-0
- Component type: Counter Ion
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MCULE-8712188120-0
- Component type: Counter Ion
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MCULE-1390268824-0
- Component type: Counter Ion
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MCULE-6107180217-0
- Component type: Counter Ion
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MCULE-2072534314-0
- Component type: Counter Ion
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MCULE-6980491809-0
- Component type: Counter Ion
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MCULE-9421660522-0
- Component type: Counter Ion
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MCULE-2369820693-0
- Component type: Counter Ion
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MCULE-7233589383-0
- Component type: Counter Ion
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MCULE-1407320601-0
- Component type: Counter Ion
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MCULE-8890614455-0
- Component type: Counter Ion
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MCULE-4295216805-0
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MCULE-7300342577-0
- Component type: Counter Ion
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MCULE-9296822151-0
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MCULE-9400037736-0
- Component type: Counter Ion
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MCULE-7605401972-0
- Component type: Counter Ion
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MCULE-4597242748-0
- Component type: Counter Ion
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MCULE-5884826037-0
- Component type: Counter Ion
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MCULE-3520747401-0
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MCULE-4250717713-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3169739755-0.sdf |
| SMILES | MCULE-3169739755-0.smiles |
| Standard InChI | MCULE-3169739755-0.inchi |
| InChIKey | MCULE-3169739755-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489197710 | 97 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 157.169 |
| logP | 1.6715 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 65.58 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 34.4494 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
