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MCULE-5404022059
Compound
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- InChIKey:
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- InChI:
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MCULE-2029311454
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5404022059.sdf |
| SMILES | MCULE-5404022059.smiles |
| Standard InChI | MCULE-5404022059.inchi |
| InChIKey | MCULE-5404022059.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489176621 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-870651480 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-870651481 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-505496946 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-505496952 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-505496958 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.198 |
| logP | -1.9006 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 105.17 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 42.0118 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
