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MCULE-4943493848
Compound
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- InChI:
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1
MCULE-7903033394
- Component type: Main
-
1
MCULE-3169739755
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4943493848.sdf |
| SMILES | MCULE-4943493848.smiles |
| Standard InChI | MCULE-4943493848.inchi |
| InChIKey | MCULE-4943493848.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-454394799 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-852545301 | Matrix Scientific | All | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 418.767 |
| logP | 5.5187 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 101.66 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 83.0152 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 12 |
| Heteroatoms | 12 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
