MCULE-7654331405-1
- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-7876724648-0
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MCULE-7491390134-1
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MCULE-7993281146-0
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MCULE-2341978688-0
- Component type: Counter Ion
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MCULE-3327220507-0
- Component type: Counter Ion
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MCULE-5458907146-0
- Component type: Counter Ion
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MCULE-7265895908-1
- Component type: Counter Ion
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MCULE-2681224422-1
- Component type: Counter Ion
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MCULE-5068576782-0
- Component type: Counter Ion
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MCULE-8343068666-0
- Component type: Counter Ion
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MCULE-9073748536-0
- Component type: Counter Ion
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MCULE-8829165333-0
- Component type: Counter Ion
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MCULE-4307017252-0
- Component type: Counter Ion
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MCULE-8044116150-1
- Component type: Counter Ion
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MCULE-9548374975-0
- Component type: Counter Ion
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MCULE-9710656388-1
- Component type: Counter Ion
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MCULE-2303749301-1
- Component type: Counter Ion
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MCULE-3450957746-1
- Component type: Counter Ion
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MCULE-5791731139-1
- Component type: Counter Ion
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MCULE-4905572973-1
- Component type: Counter Ion
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MCULE-3959478895-0
- Component type: Counter Ion
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MCULE-3525022163-1
- Component type: Counter Ion
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MCULE-2760426240-1
- Component type: Counter Ion
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MCULE-5265585358-1
- Component type: Counter Ion
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MCULE-5901587193-1
- Component type: Counter Ion
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MCULE-3588014441-1
- Component type: Counter Ion
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MCULE-6761361146-1
- Component type: Counter Ion
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MCULE-9131694420-1
- Component type: Counter Ion
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MCULE-4087271672-1
- Component type: Counter Ion
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MCULE-2934777943-1
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MCULE-5806142674-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7654331405-1.sdf |
| SMILES | MCULE-7654331405-1.smiles |
| Standard InChI | MCULE-7654331405-1.inchi |
| InChIKey | MCULE-7654331405-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489114304 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.182 |
| logP | 0.561 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 27.64 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 32.8071 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 14 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
