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MCULE-3007315603-0
Structure
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- InChIKey:
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- InChI:
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1
MCULE-1504889908-0
- Component type: Counter Ion
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2
MCULE-1152750770-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3007315603-0.sdf |
| SMILES | MCULE-3007315603-0.smiles |
| Standard InChI | MCULE-3007315603-0.inchi |
| InChIKey | MCULE-3007315603-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867443672 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 216.223 |
| logP | -2.842 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 0 |
| PSA | 221.6 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 42.9618 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
